SCHEMBL9529350

SCHEMBL9529350

c1ccc(COc2cccc3nc[nH]c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
IDO1 P14902 1/20 0.49
LTA4H P09960 2/20 0.48
PLA2G2A P14555 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
DCPS Q96C86 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CDK1 P06493 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CCNB1 P14635 1/20 0.47
MGMT P16455 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6431905 0.76 LTA4H (0.44) MAPTL3MBTL1CDC7DBF4MAPK1
SCHEMBL1486448 0.76 DCPS (0.60) CDC7DBF4IDO1LTA4HPLA2G2A
SCHEMBL8486078 0.75 KDM4E (0.48) MAPK1LTA4HPLA2G2ATRPM8SMN1; SMN2
SCHEMBL8284793 0.75 IDO1 (0.37) IDO1SMN1; SMN2DRD2RAB9A
SCHEMBL11784078 0.75 PDE5A (0.47) CYP1A2CDK1CYP2C9CCNB1CCNA2
SCHEMBL8130860 0.75 PARP1 (0.36) CDC7DBF4IDO1SMN1; SMN2DRD2
SCHEMBL7280673 0.74 NCF1 (0.36) MAPTIDO1NFKB1SMN1; SMN2DRD2
SCHEMBL9529342 0.74 DRD4 (0.64) MAPTL3MBTL1CDC7DBF4MAPK1
SCHEMBL3082549 0.74 ABL1 (0.54) MAPTL3MBTL1DCPSLMNATSHR
SCHEMBL7619113 0.74 L3MBTL1 (0.54) MAPTL3MBTL1MAPK1TDP1LTA4H

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-0266326-B1 NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS Aktiebolaget Hässle (SE) 1993-03-10 EP disclosed
US-5106862-A DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS AKTIEBOLAGET HASSLE (SE) 1992-04-21 US disclosed