SCHEMBL31318546

SCHEMBL31318546

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 4/20 0.61
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.44
APOBEC3A P31941 1/20 0.44
HTT P42858 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TTR P02766 1/20 0.43
GPR35 Q9HC97 2/20 0.43
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
PKM P14618 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 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
SCHEMBL28046034 0.88 TPMT (0.49) TPMTGPR35HPGDALDH1A1CA12
SCHEMBL3546802 0.82 TPMT (0.79) TPMTKMT2AHSD17B10TSHRAPOBEC3A
SCHEMBL9787608 0.82 TPMT (0.60) TPMTHSD17B10HTTGPR35HPGD
SCHEMBL10323282 0.81 TPMT (0.61) TPMTGPR35HPGDALDH1A1CA12
SCHEMBL10322905 0.81 TPMT (0.42) TPMTGPR35HPGDALDH1A1CA12
SCHEMBL10323237 0.81 TPMT (0.61) TPMTKMT2AHSD17B10HTTTTR
SCHEMBL29856159 0.81 LMNA (0.46) TPMTHTTGPR35HPGDALDH1A1
SCHEMBL10323392 0.79 HPGD (0.45) TPMTHTTGPR35HPGDALDH1A1
SCHEMBL10323062 0.78 TNFRSF1A (0.44) TPMTGPR35HPGDALDH1A1CA12
SCHEMBL29856356 0.78 TPMT (0.41) TPMTHSD17B10GPR35HPGDALDH1A1

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-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed