SCHEMBL31703313

SCHEMBL31703313

C=Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.66
▸ LMNA P02545 4/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ TSHR P16473 2/20 0.62
▸ HTT P42858 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.58
▸ PKM P14618 2/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ MAPT P10636 2/20 0.57
▸ USP2 O75604 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ GAA P10253 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ THRB P10828 1/20 0.51

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
SCHEMBL31703309 0.85 ALDH1A1 (0.74) KDM4ELMNAKMT2AMEN1TSHR
SCHEMBL31703490 0.81 KDM4E (0.66) KDM4ELMNAKMT2AMEN1TSHR
SCHEMBL31703451 0.81 ACHE (0.68) KDM4ELMNAKMT2AMEN1TSHR
SCHEMBL31703255 0.78 KDM4E (0.72) KDM4ELMNAKMT2AMEN1TSHR
SCHEMBL23495308 0.76 ALDH1A1 (0.81) KDM4ELMNAKMT2AMEN1HTT
SCHEMBL29436176 0.76 ALDH1A1 (0.81) KDM4ELMNAKMT2AMEN1HTT
SCHEMBL23495306 0.75 KDM4E (0.58) KDM4ELMNAKMT2AMEN1TSHR
SCHEMBL29436214 0.75 KDM4E (0.58) KDM4ELMNAKMT2AMEN1TSHR
SCHEMBL31703155 0.75 MAPT (0.77) KDM4ELMNAKMT2AMEN1TSHR
SCHEMBL31703482 0.75 KDM4E (0.67) KDM4ELMNAKMT2AMEN1TSHR

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-2025215121-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-10-16 — — WO disclosed
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