SCHEMBL28118837

SCHEMBL28118837

Oc1ccc(Br)c2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
IDO1 P14902 1/20 0.44
CYP1A2 P05177 3/20 0.43
NQO2 P16083 3/20 0.42
ALOX5 P09917 2/20 0.41
PTPN22 Q9Y2R2 1/20 0.40
TRPM4 Q8TD43 1/20 0.40
ALOX15 P16050 1/20 0.38
CYP2A6 P11509 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.36
PAK1 Q13153 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1957000 0.86 CYP2A6 (0.48) POLBCYP1A2NQO2ALOX15CYP2A6
SCHEMBL30805630 0.86 CYP2A6 (0.48) POLBCYP1A2NQO2ALOX15CYP2A6
SCHEMBL392914 0.86 IDO1 (0.58) POLBIDO1CYP1A2NQO2ALOX5
SCHEMBL28634296 0.86 IDO1 (0.58) POLBIDO1CYP1A2NQO2ALOX5
SCHEMBL29681720 0.86 IDO1 (0.58) POLBIDO1CYP1A2NQO2ALOX5
SCHEMBL28798869 0.86 GRIN2D (0.44) POLBIDO1CYP1A2TRPM4ALOX15
SCHEMBL28611087 0.81 IDO1 (0.52) POLBIDO1CYP1A2NQO2ALOX5
SCHEMBL24991579 0.81 PLAU (0.42) POLBIDO1CYP1A2NQO2TRPM4
SCHEMBL9353874 0.77 CYP1A2 (0.58) IDO1CYP1A2NQO2ALOX5TRPM4
SCHEMBL28076581 0.77 NQO2 (0.47) POLBCYP1A2NQO2ALOX5PTPN22

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
CN-106349733-A Technique for compounding disperse red FB and device thereof 安庆市长虹化工有限公司 2017-01-25 CN disclosed