SCHEMBL1921855

SCHEMBL1921855

c1ccc([N]c2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.65
MAOB P27338 2/20 0.65
ADRA2A P08913 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
PLAU P00749 1/20 0.48
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
METAP1 P53582 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
DOHH Q9BU89 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL718626 0.85 ADRA2A (0.56) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL670018 0.79 MAOA (1.00) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL670019 0.79 MAOA (1.00) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL2561898 0.77 MAOA (0.96) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL2561900 0.77 MAOA (0.96) MAOAMAOBADRA2AADRA2BADRA2C
Benzene SCHEMBL10803509 0.77 MAOA (0.82) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL7492888 0.76 MAOA (0.44) MAOAMAOBKDM4ECYP1A2ALDH1A1
SCHEMBL2326122 0.75 MAOA (0.46) MAOAMAOBKDM4ELMNACYP1A2
SCHEMBL28410677 0.74 MAOA (0.57) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL275526 0.74 MAOA (0.77) MAOAMAOBADRA2AADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP claimed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US claimed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP claimed
CN-113950480-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-19 CN disclosed
CN-111936505-B Tertiary alkyl-substituted polycyclic aromatic compounds and uses thereof 学校法人关西学院 2024-07-02 CN disclosed
CN-118285172-A Organic light emitting device 株式会社LG化学 2024-07-02 CN disclosed
CN-114206875-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-06-18 CN disclosed
CN-116057039-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-04-23 CN disclosed
CN-113727985-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-04-16 CN disclosed
WO-2024057957-A1 PHOTOELECTRIC CONVERSION ELEMENT MATERIAL, AND PHOTOELECTRIC CONVERSION ELEMENT USING SAME 日鉄ケミカル&マテリアル株式会社 2024-03-21 WO disclosed
CN-117616006-A Compound and organic light emitting device comprising the same 株式会社LG化学 2024-02-27 CN disclosed
US-5049570-A Pyridylphenyl nitrogen heterocycle-substituted carbinols and derivatives thereof with anti-inflammatory activity DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-09-17 US disclosed
US-5049570-A Pyridylphenyl nitrogen heterocycle-substituted carbinols and derivatives thereof with anti-inflammatory activity DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-09-17 US disclosed
US-5049570-A Pyridylphenyl nitrogen heterocycle-substituted carbinols and derivatives thereof with anti-inflammatory activity DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-09-17 US disclosed
WO-1991011445-A1 PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-08 WO disclosed
WO-1991011445-A1 PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-08 WO disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed
US-4241168-A TWO-EQUIVALENT MAGENTA COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1980-12-23 US disclosed
US-4040836-A MAGENTA FUJI PHOTO FILM CO., LTD. (JA) 1977-08-09 US disclosed
US-4032346-A 5-OXO-2-PYRAZOLIN-4-YL-AMINE-CARBODITHIOATE-DITHIOCARBONATE FUJI PHOTO FILM CO., LTD. (JA) 1977-06-28 US disclosed