SCHEMBL7428111

SCHEMBL7428111

CCCc1c(C(=O)C(C)C)c2ccc(C(=O)NO)cc2n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.44
PPARG P37231 1/20 0.43
TP53 P04637 3/20 0.41
ROCK2 O75116 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
HTR3A P46098 1/20 0.39
ALOX5AP P20292 1/20 0.39
S1PR3 Q99500 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL7465584 0.90 PPARG (0.41) PPARGTP53ROCK2TDP1POLB
SCHEMBL7427533 0.89 ALOX5AP (0.46) PPARGTP53ALOX5APRXFP1PTGES
SCHEMBL7425401 0.89 MAPT (0.43) PPARGTP53TDP1ALOX5APS1PR3
SCHEMBL29611861 0.89 ALOX5AP (0.47) PPARGTP53ALOX5APRXFP1
SCHEMBL687131 0.89 ALOX5AP (0.47) PPARGTP53ALOX5APRXFP1
SCHEMBL7707842 0.89 ALOX5AP (0.45) PPARGTP53ALOX5APRXFP1PTGES
SCHEMBL7417850 0.84 L3MBTL1 (0.40) TDP1ALOX5APS1PR3EGLN3PTGES
SCHEMBL3842264 0.84 CNR2 (0.47) ALOX5AP
Hydrochloric Acid SCHEMBL7477963 0.83 L3MBTL1 (0.39) TDP1ALOX5APS1PR3EGLN3PTGES
SCHEMBL7471782 0.83 PTGES (0.46) PPARGTP53RXFP1PTGES

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