SCHEMBL8539008

SCHEMBL8539008

O=[N+]([O-])c1ccc(N/N=C/Cc2cccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
HTT P42858 2/20 0.50
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
UBE2N P61088 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL8539011 1.00 NAMPT (0.54) NAMPTHTTMAPTALDH1A1MEN1
SCHEMBL8538118 0.88 NAMPT (0.52) NAMPTHTTMAPTALDH1A1MEN1
SCHEMBL8538119 0.88 NAMPT (0.52) NAMPTHTTMAPTALDH1A1MEN1
SCHEMBL9024281 0.84 NAMPT (0.48) NAMPTHTTMAPTALDH1A1MEN1
SCHEMBL9024271 0.84 NAMPT (0.48) NAMPTHTTMAPTALDH1A1MEN1
SCHEMBL4848969 0.74 NAMPT (0.58) NAMPTHTTMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL11413158 0.72 MEN1 (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11413154 0.72 MEN1 (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3297428 0.72 KMT2A (0.56) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL177815 0.72 POLB (0.67) NAMPTHTTMAPTALDH1A1MEN1

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 4 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
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed