SCHEMBL7142799

SCHEMBL7142799

Cc1ccc(C(=O)C(Br)c2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.49
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EGFR P00533 1/20 0.42
PTGS2 P35354 1/20 0.42
KCNA5 P22460 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MMP13 P45452 1/20 0.40
F2 P00734 1/20 0.40
KLK7 P49862 1/20 0.40
KLK14 Q9P0G3 1/20 0.40
KLK5 Q9Y337 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
MAPK1 P28482 1/20 0.40
TBXAS1 P24557 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Bromide SCHEMBL6276160 0.98 NAMPT (0.48) NAMPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL7142887 0.87 TDP1 (0.47) KMT2AALDH1A1NPC1RAB9AKCNA5
SCHEMBL7149156 0.86 CYP17A1 (0.49) KMT2AALDH1A1RAB9AGAAMAPT
SCHEMBL7140967 0.86 SMN1; SMN2 (0.51) NAMPTALDH1A1KCNA5GAALMNA
Bromide SCHEMBL6279797 0.85 TDP1 (0.46) KMT2AALDH1A1NPC1RAB9AKCNA5
SCHEMBL7149214 0.85 POLB (0.51) KMT2AALDH1A1RAB9APTGS2GAA
Bromide SCHEMBL6279795 0.85 CYP17A1 (0.48) KMT2AALDH1A1NPC1RAB9AGAA
SCHEMBL7144713 0.85 CYP19A1 (0.53) NAMPTKMT2AALDH1A1NPC1RAB9A
Bromide SCHEMBL6282444 0.84 SMN1; SMN2 (0.50) NAMPTALDH1A1KCNA5GAALMNA
SCHEMBL7148265 0.84 NPC1 (0.51) KMT2AALDH1A1NPC1RAB9AKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed