SCHEMBL7417097

SCHEMBL7417097

CCCc1c(C(=O)C(C)C)c2ccc(CC(=O)OCC)cc2n1Cc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 7/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ALOX5AP P20292 2/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CNR2 P34972 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
SCHEMBL7420140 0.89 SLC22A12 (0.53) SLC22A12ALDH1A1KDM4EALOX5APTP53
SCHEMBL7426437 0.88 PLA2G2A (0.44) SLC22A12MAPTKDM4EL3MBTL1MAPK1
SCHEMBL7417850 0.82 L3MBTL1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3842264 0.81 CNR2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7477963 0.81 L3MBTL1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7427533 0.81 ALOX5AP (0.46) SLC22A12ALDH1A1L3MBTL1ALOX5APTP53
SCHEMBL7425401 0.81 MAPT (0.43) ALDH1A1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL687131 0.81 ALOX5AP (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7707842 0.81 ALOX5AP (0.45) SLC22A12ALDH1A1L3MBTL1ALOX5APTP53
SCHEMBL7420327 0.80 ALOX5AP (0.46) KDM4EL3MBTL1LMNAALOX5APHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed