SCHEMBL6958769

SCHEMBL6958769

O=C(Cc1ccc(Cc2c[nH]cn2)cc1)OCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
KLK7 P49862 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9080811 0.90 ALDH1A1 (0.42) POLBALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL6970345 0.89 ALDH1A1 (0.44) POLBALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL9023589 0.89 L3MBTL1 (0.59) ALDH1A1L3MBTL1MAPK1TSHRKMT2A
SCHEMBL6972584 0.88 L3MBTL1 (0.43) POLBALDH1A1L3MBTL1MAPTTSHR
SCHEMBL6971039 0.88 MEN1 (0.43) POLBALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL6960634 0.85 KMT2A (0.50) ALDH1A1L3MBTL1MAPK1MAPTKMT2A
SCHEMBL6961218 0.85 KMT2A (0.50) ALDH1A1L3MBTL1MAPK1MAPTKMT2A
SCHEMBL6972522 0.83 NPC1 (0.53) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL9078573 0.81 HSP90AB1 (0.41) L3MBTL1MAPK1NPSR1LMNAGAA
SCHEMBL9024167 0.81 YWHAG (0.41) POLBALDH1A1L3MBTL1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed