SCHEMBL7420331

SCHEMBL7420331

CCCc1c(C(=O)C(C)C)c2ccc(C(=O)OC)cc2n1Cc1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 9/20 0.41
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTGER4 P35408 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ACSS2 Q9NR19 1/20 0.34

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
SCHEMBL7422342 0.90 S1PR3 (0.42) S1PR3MAPK14MEN1KMT2AL3MBTL1
SCHEMBL7427161 0.89 AGTR1 (0.38) S1PR3KDM4EPPARG
SCHEMBL7416292 0.89 S1PR3 (0.46) S1PR3MEN1KMT2AL3MBTL1TP53
SCHEMBL7470080 0.89 S1PR3 (0.41) S1PR3MAPK14TP53MAPTTHRB
SCHEMBL7425401 0.89 MAPT (0.43) S1PR3MEN1KMT2AL3MBTL1TP53
SCHEMBL7468201 0.89 MEN1 (0.43) S1PR3MEN1KMT2ATP53MAPT
SCHEMBL7420760 0.89 PLA2G2A (0.38) S1PR3KMT2ANPC1ACSS2
SCHEMBL7424404 0.88 S1PR3 (0.42) S1PR3TP53MAPTTHRBKDM4E
SCHEMBL7467554 0.86 TSHR (0.43) S1PR3MEN1KMT2ATP53NPC1
SCHEMBL7422972 0.85 HTT (0.45) S1PR3MEN1KMT2AKDM4E

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