SCHEMBL7428583

SCHEMBL7428583

CCc1c(C(O)C(C)C)c2ccc(C(N)=O)cc2n1Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.45
DPP4 P27487 5/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 2/20 0.38
PLA2G2A P14555 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL7420321 0.84 ALOX5AP (0.48) ALOX5APDPP4ALDH1A1MEN1KMT2A
SCHEMBL7416231 0.83 ALOX5AP (0.44) ALOX5APDPP4ALDH1A1MEN1KMT2A
SCHEMBL7471798 0.82 L3MBTL1 (0.48) ALOX5APDPP4ALDH1A1MEN1KMT2A
SCHEMBL7418878 0.81 ALDH1A1 (0.53) ALOX5APDPP4ALDH1A1MEN1KMT2A
SCHEMBL7420966 0.81 ALOX5AP (0.44) ALOX5APDPP4ALDH1A1MEN1KMT2A
SCHEMBL8556630 0.81 ALOX5AP (0.45) ALOX5APDPP4ALDH1A1MEN1KMT2A
SCHEMBL7427183 0.79 ALOX5AP (0.44) ALOX5APDPP4ALDH1A1MEN1KMT2A
SCHEMBL687131 0.78 ALOX5AP (0.47) ALOX5APDPP4ALDH1A1MEN1KMT2A
SCHEMBL7426815 0.78 ALOX5AP (0.45) ALOX5APDPP4ALDH1A1MEN1KMT2A
SCHEMBL7426692 0.78 ALOX5AP (0.43) ALOX5APDPP4ALDH1A1MEN1KMT2A

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