SCHEMBL28046034

SCHEMBL28046034

COc1c(C#N)cc(C(=O)O)cc1C#N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPMT P51580 6/20 0.49
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA3 P07451 1/20 0.46
PKM P14618 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGS2 P35354 1/20 0.43
GPR35 Q9HC97 1/20 0.42
IMPDH2 P12268 1/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL10322905 0.92 TPMT (0.42) TPMTCA1CA2CA12CA4
SCHEMBL9787608 0.90 TPMT (0.60) TPMTCA1CA2CA12CA4
SCHEMBL31318546 0.88 TPMT (0.61) TPMTCA1CA2CA12CA4
SCHEMBL29856159 0.88 LMNA (0.46) TPMTCA1CA2CA12CA4
SCHEMBL10323282 0.88 TPMT (0.61) TPMTCA1CA2CA12CA4
SCHEMBL10323237 0.88 TPMT (0.61) TPMTCA1CA2CA12CA4
SCHEMBL10323392 0.87 HPGD (0.45) TPMTCA1CA2CA12CA4
SCHEMBL29856356 0.85 TPMT (0.41) TPMTCA1CA2CA12CA4
SCHEMBL10322563 0.85 TPMT (0.41) TPMTCA1CA2CA12CA4
SCHEMBL10323062 0.85 TNFRSF1A (0.44) TPMTCA1CA2CA12CA4

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-105315245-A Benzofuran derivative, preparation method and application thereof CHINA RESOURCES SAIKE PHARMACEUTICAL CO LTD 2016-02-10 CN disclosed