SCHEMBL7426971

SCHEMBL7426971

CCC(=O)c1c(C)n(Cc2ccccc2Cl)c2cc(C(N)=O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
CNR2 P34972 1/20 0.49
PLA2G2A P14555 3/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX5AP P20292 1/20 0.43
DPP4 P27487 1/20 0.42
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL7419060 0.90 L3MBTL1 (0.52) L3MBTL1CNR2PLA2G2AALDH1A1MAPT
SCHEMBL7428834 0.89 L3MBTL1 (0.64) L3MBTL1CNR2PLA2G2AALDH1A1MAPT
SCHEMBL7420966 0.88 ALOX5AP (0.44) L3MBTL1CNR2ALDH1A1MAPTKDM4E
SCHEMBL7420991 0.88 L3MBTL1 (0.49) L3MBTL1CNR2PLA2G2AALDH1A1MAPT
SCHEMBL7422326 0.87 L3MBTL1 (0.51) L3MBTL1CNR2PLA2G2AALDH1A1MAPT
SCHEMBL7421847 0.87 ALOX5AP (0.43) L3MBTL1CNR2PLA2G2AALDH1A1MAPT
SCHEMBL7421044 0.84 ALOX5AP (0.45) L3MBTL1CNR2ALDH1A1MAPTKDM4E
SCHEMBL7425165 0.82 TP53 (0.44) L3MBTL1ALDH1A1KDM4ELMNATNF
SCHEMBL7471798 0.81 L3MBTL1 (0.48) L3MBTL1PLA2G2AALDH1A1KDM4ELMNA
SCHEMBL7426692 0.81 ALOX5AP (0.43) L3MBTL1CNR2PLA2G2AALDH1A1LMNA

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