SCHEMBL24749535

SCHEMBL24749535

COc1ccc(Oc2ccc(C(F)F)cn2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 3/20 0.45
BRCA1 P38398 1/20 0.45
HBB P68871 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SCN9A Q15858 15/20 0.41
SCN10A Q9Y5Y9 5/20 0.40
POLB P06746 1/20 0.40
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL31694868 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL31694819 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL24751480 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL24749525 0.83 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL24750233 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL31009493 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL31694901 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL24751473 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL24750324 0.80 TSHR (0.58) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL31009353 0.79 ALDH1A1 (0.45) KMT2AALDH1A1MAPTSCN9ASCN10A

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-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed