SCHEMBL30058857

SCHEMBL30058857

COc1cc(-c2cccc(-c3csc(NC(=O)CNC(=O)c4cccc(C(C)(C)CN)c4)n3)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.53
▸ ROCK1 Q13464 6/20 0.44
▸ PRKACA P17612 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CCR2 P41597 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ WNT3A P56704 2/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ KDM4B O94953 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ MEN1 O00255 2/20 0.39

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
SCHEMBL23704897 1.00 CYP3A4 (0.53) CYP3A4ROCK1PRKACAALDH1A1MAPT
SCHEMBL28939613 0.92 CYP3A4 (0.51) CYP3A4ROCK1PRKACAALDH1A1MAPT
SCHEMBL23704817 0.91 CYP3A4 (0.51) CYP3A4ROCK1PRKACAALDH1A1MAPT
SCHEMBL30059003 0.90 CYP3A4 (0.50) CYP3A4ROCK1PRKACAALDH1A1MAPT
SCHEMBL23705043 0.90 CYP3A4 (0.50) CYP3A4ROCK1PRKACAALDH1A1MAPT
SCHEMBL23714846 0.90 WNT3A (0.51) CYP3A4ROCK1PRKACAALDH1A1MAPT
SCHEMBL30058825 0.89 CYP3A4 (0.49) CYP3A4ROCK1PRKACAALDH1A1MAPT
SCHEMBL23714972 0.89 CYP3A4 (0.49) CYP3A4ROCK1PRKACAALDH1A1MAPT
SCHEMBL23704778 0.89 MAPT (0.47) CYP3A4ROCK1PRKACAALDH1A1MAPT
SCHEMBL30058923 0.89 MAPT (0.47) CYP3A4ROCK1PRKACAALDH1A1MAPT

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
EP-4096657-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2022-12-07 — — EP disclosed
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