SCHEMBL405762

SCHEMBL405762

c1ccc([C]2N=NN=N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
NOTUM Q6P988 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HTT P42858 2/20 0.36
ATAD2 Q6PL18 1/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1326009 0.87
SCHEMBL5578450 0.73 MAPT (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL29560186 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL30629023 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL29008551 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL2548048 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL164 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL4002609 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL1358618 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL28890607 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024083020-A1 COMPOSITION FOR SELECTIVELY ETCHING ALUMINUM OXIDE 安集微电子科技(上海)股份有限公司 2024-04-25 WO claimed
JP-59001472-A None JP disclosed
WO-2024083020-A1 COMPOSITION FOR SELECTIVELY ETCHING ALUMINUM OXIDE 安集微电子科技(上海)股份有限公司 2024-04-25 WO disclosed
US-8361627-B2 Anti-corrosion layer for aluminum and magnesium alloys EADS DEUTSCHLAND GMBH (DE) 2013-01-29 US disclosed
US-20120021232-A1 ANTI-CORROSION LAYER FOR ALUMINUM AND MAGNESIUM ALLOYS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-01-26 US disclosed
EP-2379623-A1 ANTI-CORROSION LAYER FOR ALUMINUM AND MAGNESIUM ALLOYS EADS Deutschland GmbH (DE) 2011-10-26 EP disclosed
WO-2010081757-A1 ANTI-CORROSION LAYER FOR ALUMINUM AND MAGNESIUM ALLOYS EADS DEUTSCHLAND GMBH (DE) 2010-07-22 WO disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
JP-S591472-A TRIIODOALLYL COMPOUND, PREPARATION AND ANTIMICROBIAL AND ANTIFUNGAL AGENT CONTAINING THE SAME AS ACTIVE CONSTITUENT MEIJI SEIKA KAISHA LTD 1984-01-06 JP disclosed