SCHEMBL30036780

SCHEMBL30036780

CCOC(=O)/C=C/c1cc(Cl)nc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CNKSR1 Q969H4 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAOB P27338 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FDPS P14324 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.37
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL20223478 1.00 TTR (0.43) TTRDPP4CA12CA1CA2
SCHEMBL20223056 0.79 KDM4E (0.41) KDM4EKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL12498091 0.78 CYP3A4 (0.56) TTRDPP4CA12CA1CA2
SCHEMBL9515240 0.78 CYP3A4 (0.56) TTRDPP4CA12CA1CA2
SCHEMBL20212171 0.77 KDM4E (0.39) KDM4EKMT2AMAPTHCAR2RAB9A
SCHEMBL29005510 0.77 DPP4 (0.42) TTRDPP4CA12CA1CA2
SCHEMBL29363532 0.77 DPP4 (0.42) TTRDPP4CA12CA1CA2
SCHEMBL30036501 0.76 TLR8 (0.53) TTRDPP4CYP3A4
SCHEMBL20223479 0.76 TLR8 (0.53) TTRDPP4CYP3A4
SCHEMBL7174672 0.75 LMNA (0.39) TTRDPP4CA12CA1CA2

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-110177780-B Pyrimidine compounds containing acidic groups 阿普罗斯治疗公司 2022-11-01 — — CN disclosed
Send feedback