SCHEMBL8030596

SCHEMBL8030596

CCOC(=O)CN(c1ccc2c(Br)c(Cc3ccc(C#N)cc3)oc2c1)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.41
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
STAT3 P40763 1/20 0.34
PTPRS Q13332 1/20 0.34
TP53 P04637 2/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL8032187 0.93 F2 (0.42) F2PKMTSHRGAAALDH1A1
SCHEMBL6637732 0.88 F2 (0.43) F2PKMTSHRGAAALDH1A1
Hydrochloric Acid SCHEMBL8026788 0.88 F2 (0.54) F2PKMTSHRGAAALDH1A1
SCHEMBL6638686 0.84 F2 (0.44) F2PKMTSHRGAAALDH1A1
SCHEMBL6635031 0.81 F2 (0.45) F2PKMTSHRGAAALDH1A1
Hydrochloric Acid SCHEMBL8026857 0.81 F2 (0.56) F2PKMTSHRGAAALDH1A1
SCHEMBL6633463 0.81 F2 (0.45) F2PKMTSHRGAAALDH1A1
SCHEMBL8138889 0.81 F2 (0.64) F2TSHRGAAALDH1A1FNTA
SCHEMBL8026776 0.80 F2 (0.49) F2TSHRGAAALDH1A1FNTA
SCHEMBL8016207 0.80 F2 (0.44) F2PKMTSHRGAAALDH1A1

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed