SCHEMBL7418329

SCHEMBL7418329

CCc1c(CC)n(Cc2ccccc2Cl)c2cc(C(=O)O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.50
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CCR2 P41597 1/20 0.44
PTPN11 Q06124 1/20 0.43
ALOX5AP P20292 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 2/20 0.43
FABP4 P15090 1/20 0.42
PPARG P37231 1/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 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
SCHEMBL7416231 0.90 ALOX5AP (0.44) TP53RXFP1ALOX5APMEN1ALDH1A1
SCHEMBL7422623 0.90 SLC22A12 (0.51) SLC22A12TP53RXFP1CCR2PTPN11
SCHEMBL7426911 0.88 MAPT (0.47) TP53RXFP1MEN1ALDH1A1KMT2A
SCHEMBL7467256 0.87 L3MBTL1 (0.49) SLC22A12TP53RXFP1CCR2PTPN11
SCHEMBL7419529 0.86 TP53 (0.49) SLC22A12TP53RXFP1CCR2PTPN11
SCHEMBL7470623 0.86 SLC22A12 (0.45) SLC22A12TP53RXFP1CCR2PTPN11
SCHEMBL7420372 0.86 KMT2A (0.56) SLC22A12TP53RXFP1CCR2PTPN11
SCHEMBL7428819 0.85 ALOX5AP (0.47) SLC22A12TP53RXFP1CCR2PTPN11
SCHEMBL7419326 0.82 SLC22A12 (0.45) SLC22A12TP53RXFP1CCR2PTPN11
SCHEMBL7701998 0.81 MAPT (0.45) TP53RXFP1MEN1ALDH1A1KMT2A

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