SCHEMBL28042595

SCHEMBL28042595

Nc1ccc(Cl)c2c1OCO2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.34
CYP3A4 P08684 5/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
ADORA2A P29274 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL21603443 0.86 CYP3A4 (0.35) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL12878756 0.73 NPC1 (0.33) CYP3A4ALDH1A1
SCHEMBL21552685 0.73 AOC3 (0.37)
SCHEMBL4498724 0.73 AOC3 (0.37) ALDH1A1
SCHEMBL19122860 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL29661608 0.73 AOC3 (0.37) ALDH1A1
SCHEMBL505928 0.73
SCHEMBL4492757 0.73 CYP3A4 (0.34) TSHRCYP3A4TP53ALDH1A1ALOX15
SCHEMBL174080 0.70 TXNRD1 (0.37) ALDH1A1MAPK1TDP1
SCHEMBL30474091 0.70 MEN1 (0.30) ALDH1A1

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-103275072-B The preparation method of saracatinib SUZHOU MINGYUE MEDICAL TECHNOLOGY CO., LTD. (CN) 2016-01-20 CN disclosed