SCHEMBL14644969

SCHEMBL14644969

C=Cc1ccc(OC)c2c(NCC(C)(C)c3ccccc3)noc12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.63
EGFR P00533 1/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1478403 0.89 KCNA5 (0.63) KCNA5EGFRUSP2HSD17B10
SCHEMBL1477870 0.88 KCNA5 (0.72) KCNA5EGFR
SCHEMBL14644961 0.84 KCNA5 (0.68) KCNA5EGFR
SCHEMBL1478379 0.84 KCNA5 (0.67) KCNA5TSHR
SCHEMBL1478669 0.84 KCNA5 (0.67) KCNA5
SCHEMBL1480523 0.84 KCNA5 (0.67) KCNA5
SCHEMBL1478452 0.79 KCNA5 (0.64) KCNA5
SCHEMBL14644960 0.79 KCNA5 (0.58) KCNA5
SCHEMBL1480214 0.79 KCNA5 (0.58) KCNA5
SCHEMBL1478871 0.78 KCNA5 (1.00) KCNA5EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed