SCHEMBL7427422

SCHEMBL7427422

CCCc1c(C(=O)C(C)C)c2cc(C(N)=O)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
SLC22A12 Q96S37 1/20 0.37
CHEK2 O96017 1/20 0.37
EDNRA P25101 5/20 0.36
ALOX5AP P20292 1/20 0.35
PLA2G2A P14555 1/20 0.35
EDNRB P24530 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE5A O76074 1/20 0.33

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
SCHEMBL7425503 0.92 EDNRA (0.41) SLC22A12EDNRAEDNRBHPGD
SCHEMBL7419283 0.90 SMN1; SMN2 (0.41) NPC1SLC22A12EDNRAEDNRBCYP1A2
SCHEMBL7421689 0.84 ALOX5AP (0.49) NPC1ALOX5APPLA2G2ACYP1A2CYP3A4
SCHEMBL7426853 0.84 SLC22A12 (0.40) SLC22A12CHEK2EDNRAEDNRBCYP1A2
SCHEMBL7427199 0.82 SLC22A12 (0.47) SLC22A12EDNRAPLA2G2AEDNRBCYP1A2
SCHEMBL7420199 0.81 SLC22A12 (0.37) SLC22A12CHEK2EDNRAPLA2G2AEDNRB
SCHEMBL7418953 0.81 EDNRA (0.39) SLC22A12CHEK2EDNRAEDNRBCYP1A2
SCHEMBL7427382 0.80 SLC22A12 (0.39) SLC22A12CHEK2EDNRAEDNRBCYP1A2
SCHEMBL7426123 0.80 SLC22A12 (0.39) NPC1SLC22A12CHEK2EDNRAPLA2G2A
SCHEMBL7424721 0.80 SLC22A12 (0.57) SLC22A12EDNRAALOX5APEDNRBCYP1A2

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 6 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
CN-1187812-A Indole derivatives as CGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-07-15 CN 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