SCHEMBL7425629

SCHEMBL7425629

CCCc1c([N+](=O)[O-])c2ccc(C(=O)O)cc2n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
SLC22A12 Q96S37 3/20 0.42
DCTPP1 Q9H773 2/20 0.40
PTPN11 Q06124 1/20 0.40
ALOX5AP P20292 1/20 0.40
DPP4 P27487 2/20 0.39
CCR2 P41597 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL7418197 0.92 MAPT (0.46) KMT2AMITFMAPTAGTR1AGTR2
SCHEMBL7418765 0.90 HTT (0.43) KMT2AMITFMAPTDCTPP1DPP4
SCHEMBL7419326 0.85 SLC22A12 (0.45) KMT2ASLC22A12PTPN11ALOX5APDPP4
SCHEMBL7463685 0.83 ALOX5AP (0.44) KMT2ASLC22A12PTPN11ALOX5APDPP4
SCHEMBL150104 0.83 L3MBTL1 (0.47) KMT2ASLC22A12PTPN11ALOX5APDPP4
SCHEMBL7421444 0.82 KMT2A (0.54) KMT2AMAPTSLC22A12PTPN11ALOX5AP
SCHEMBL7418877 0.82 SLC22A12 (0.43) KMT2AMAPTSLC22A12PTPN11ALOX5AP
SCHEMBL7427533 0.81 ALOX5AP (0.46) KMT2ASLC22A12PTPN11ALOX5APDPP4
SCHEMBL7422715 0.81 SLC22A12 (0.42) KMT2AMAPTSLC22A12PTPN11ALOX5AP
SCHEMBL7707842 0.80 ALOX5AP (0.45) KMT2ASLC22A12PTPN11ALOX5APDPP4

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