SCHEMBL29856159

SCHEMBL29856159

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
TPMT P51580 5/20 0.42
PTGS2 P35354 1/20 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
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 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) TPMTPTGS2HPGDALDH1A1CA12
SCHEMBL29856679 0.86 HPGD (0.39) LMNAMAPK1HTTRAB9AHPGD
SCHEMBL29856395 0.86 KDM4E (0.43) LMNAHPGDALDH1A1CA12CA1
SCHEMBL1458628 0.82 LMNA (0.58) LMNAMAPK1HTTRAB9ATPMT
SCHEMBL9787608 0.82 TPMT (0.60) LMNAMAPK1HTTTPMTPTGS2
SCHEMBL10323237 0.81 TPMT (0.61) LMNAHTTTPMTHPGDALDH1A1
SCHEMBL10322905 0.81 TPMT (0.42) TPMTPTGS2HPGDALDH1A1CA12
SCHEMBL31318546 0.81 TPMT (0.61) HTTTPMTHPGDALDH1A1CA12
SCHEMBL10323282 0.81 TPMT (0.61) TPMTPTGS2HPGDALDH1A1CA12
SCHEMBL10323576 0.80 CYP2C9 (0.42) TPMTHPGDALDH1A1

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
WO-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed