SCHEMBL7428003

SCHEMBL7428003

NC(=O)c1ccc2c3c(n(Cc4ccccc4Cl)c2c1)CCCC3=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
DPP4 P27487 5/20 0.47
FABP4 P15090 1/20 0.46
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5AP P20292 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
HTR3A P46098 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTPN11 Q06124 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL7414769 0.94 HDAC1 (0.46) HDAC1HDAC6DPP4FABP4MEN1
SCHEMBL7422336 0.91 FABP4 (0.57) HDAC1HDAC6DPP4FABP4MEN1
SCHEMBL7474547 0.87 HDAC1 (0.52) HDAC1HDAC6DPP4FABP4ALDH1A1
SCHEMBL7423051 0.86 DPP4 (0.45) HDAC1HDAC6DPP4FABP4MEN1
SCHEMBL7418839 0.84 FABP4 (0.54) HDAC1HDAC6DPP4FABP4MEN1
SCHEMBL7467571 0.81 DPP4 (0.44) DPP4FABP4MEN1ALDH1A1KMT2A
SCHEMBL7473427 0.81 DPP4 (0.46) HDAC1HDAC6DPP4FABP4MEN1
SCHEMBL7416251 0.76 ALDH1A1 (0.54) DPP4FABP4MEN1ALDH1A1KMT2A
SCHEMBL5147078 0.75 HDAC1 (0.48) HDAC1HDAC6MEN1KMT2APTGS1
SCHEMBL7422984 0.73 DPP4 (0.47) DPP4FABP4MEN1ALDH1A1KMT2A

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