SCHEMBL123180

SCHEMBL123180

[CH]=Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
HSD17B10 Q99714 3/20 0.48
RXRA P19793 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 3/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHAT P28329 4/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL50727 0.82 BACE1 (0.43) TSHRHSD17B10RXRAALDH1A1CYP2A6
SCHEMBL29374287 0.80 RXRA (0.47) TSHRHSD17B10RXRAALDH1A1CYP2A6
SCHEMBL2662479 0.80 RXRA (0.47) TSHRHSD17B10RXRAALDH1A1CYP2A6
SCHEMBL7888602 0.80 RXRA (0.47) TSHRHSD17B10RXRAALDH1A1CYP2A6
SCHEMBL1033619 0.79 ALDH1A1 (0.46) TSHRHSD17B10ALDH1A1TDP1CYP1A2
SCHEMBL2494362 0.79 TSHR (0.50) TSHRHSD17B10RXRAALDH1A1CYP2A6
SCHEMBL816177 0.79 TSHR (0.50) TSHRHSD17B10RXRAALDH1A1CYP2A6
SCHEMBL10706694 0.79 CHAT (0.62) TSHRHSD17B10RXRAALDH1A1CYP2A6
SCHEMBL10706687 0.79 CHAT (0.62) TSHRHSD17B10RXRAALDH1A1CYP2A6
SCHEMBL10706700 0.79 CHAT (0.62) TSHRHSD17B10RXRAALDH1A1CYP2A6

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

Appears in 4322 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143770-A Quinoline derivative and preparation method and application thereof 广东工业大学 2023-05-23 CN claimed
CN-116003460-A Method for synthesizing optical active organosilicon compound by asymmetric conjugate addition 河南师范大学 2023-04-25 CN claimed
EP-2879675-B1 COMPOUNDS AND METHODS FOR TARGETING HSP90 UNIV DUKE (US) 2019-11-13 EP claimed
CN-106103440-B Compound, luminescent material and organic electroluminescence device with the tetrazine and phenanthrene ring structure 保土谷化学工业株式会社 2019-03-26 CN claimed
CN-108299285-A The synthetic method of trifluoromethyl Dihydropyridone compound 河南师范大学 2018-07-20 CN claimed
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP claimed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN claimed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP claimed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US claimed
CN-103413683-A Preparation of electron beam irradiation modified flexible dye-sensitized nanocrystalline solar cell INST MODERN PHYSICS CAS 2013-11-27 CN claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP claimed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO claimed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US claimed
EP-0463488-B1 O-Benzyl oxime ethers and fungicides containing them BASF AG (DE) 1997-12-10 EP claimed
US-5587373-A ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-24 US claimed
EP-0445781-B1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC (US) 1996-01-31 EP claimed
EP-0445781-A1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC. (US) 1991-09-11 EP claimed
US-5013837-A Treatment of glaucoma STERLING DRUG INC. (US) 1991-05-07 US claimed
US-4973587-A 3-arylcarbonyl-1-aminoalkyl-1H-indole-containing antiglaucoma method STERLING DRUG INC. (US) 1990-11-27 US claimed