SCHEMBL8538119

SCHEMBL8538119

O=[N+]([O-])c1ccc(NN=CCCc2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
HTT P42858 2/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 2/20 0.45
PSMD14 O00487 1/20 0.45
LMNA P02545 1/20 0.45
MMP2 P08253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL8538118 1.00 NAMPT (0.52) NAMPTHTTMAPTMEN1KMT2A
SCHEMBL9024281 0.96 NAMPT (0.48) NAMPTHTTMAPTMEN1KMT2A
SCHEMBL9024271 0.96 NAMPT (0.48) NAMPTHTTMAPTMEN1KMT2A
SCHEMBL8539011 0.88 NAMPT (0.54) NAMPTHTTMAPTMEN1KMT2A
SCHEMBL8539008 0.88 NAMPT (0.54) NAMPTHTTMAPTMEN1KMT2A
SCHEMBL16760194 0.82 LTA4H (0.50) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL8541054 0.78 MEN1 (0.51) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL8541057 0.78 MEN1 (0.51) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL4848969 0.77 NAMPT (0.58) NAMPTHTTMAPTMEN1KMT2A
SCHEMBL2790594 0.75 MAPT (0.40) NAMPTMAPTMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed