SCHEMBL31363149

SCHEMBL31363149

C#CCNc1ccc(OC)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
PABPC1 P11940 4/20 0.43
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL8349276 0.80 KMT2A (0.53) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL27787981 0.80 KMT2A (0.40) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL27954500 0.77 KMT2A (0.59) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL6269870 0.77 KMT2A (0.55) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL12933403 0.77 KMT2A (0.50) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL30119647 0.77 CA12 (0.43) MAPTTSHRNPSR1SLC22A12
SCHEMBL82717 0.77 CA12 (0.43) MAPTTSHRNPSR1SLC22A12
SCHEMBL8348534 0.76 KMT2A (0.49) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL4574251 0.76 KMT2A (0.53) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL29636514 0.75 KMT2A (0.55) KMT2AMEN1KDM4EMAPTSMN1; SMN2

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed