SCHEMBL28867950

SCHEMBL28867950

N#CCC(OP(=O)(O)C(CC#N)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.41
SRC P12931 1/20 0.36
POLB P06746 1/20 0.36
PBRM1 Q86U86 1/20 0.35
GSR P00390 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL28264000 0.78 PBRM1 (0.42) ACP3SRCPOLBPBRM1GSR
SCHEMBL28512357 0.73 ACP3 (0.42) ACP3SRCPOLB
SCHEMBL11527104 0.73 MEN1 (0.47) ACP3POLBPBRM1
SCHEMBL7600621 0.72 PBRM1 (0.45) ACP3POLBPBRM1
SCHEMBL292595 0.71 PBRM1 (0.41) SRCPBRM1GSRTSHRCYP2D6
SCHEMBL292594 0.71 PBRM1 (0.41) SRCPBRM1GSRTSHRCYP2D6
SCHEMBL8595328 0.71 TSHR (0.47) POLBTSHRCYP2D6
SCHEMBL734453 0.69 PBRM1 (0.41) PBRM1GSRTSHRCYP2D6
SCHEMBL7552631 0.69 PABPC1 (0.50) PBRM1TSHR
SCHEMBL2208580 0.69 PABPC1 (0.50) PBRM1TSHR

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
CN-109761530-A A kind of epoxy resin concrete material with cracking resistance 深圳市欧科力科技有限公司 2019-05-17 CN disclosed
CN-109137124-A A kind of preparation method of inflaming retarding fabric 盛世瑶兰(深圳)科技有限公司 2019-01-04 CN disclosed