SCHEMBL22305346

SCHEMBL22305346

Cn1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C(=O)CCCc4ccncc4)c3)cs2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ROCK1 Q13464 14/20 0.42
▸ PRKACA P17612 4/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ ROCK2 O75116 4/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ WNT3A P56704 1/20 0.40

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
SCHEMBL22306576 0.90 ROCK1 (0.47) MAPTMAPK1ROCK1PRKACACYP3A4
SCHEMBL22290647 0.87 PARP1 (0.47) MAPTROCK1PRKACACYP3A4ALDH1A1
SCHEMBL31173242 0.87 PARP1 (0.47) MAPTROCK1PRKACACYP3A4ALDH1A1
SCHEMBL22306610 0.84 ROCK1 (0.48) MAPTROCK1PRKACACYP3A4ALDH1A1
SCHEMBL22306581 0.83 HDAC4 (0.51) MAPTMAPK1ROCK1PRKACACYP3A4
SCHEMBL22305368 0.82 MAPT (0.49) MAPTROCK1ALDH1A1ROCK2
SCHEMBL22305951 0.81 MAPT (0.55) MAPTMAPK1ALDH1A1PARP1HDAC1
SCHEMBL22306345 0.80 ROCK2 (0.47) MAPTMAPK1ROCK1ALDH1A1ROCK2
SCHEMBL22305714 0.80 WNT3A (0.45) MAPTMAPK1ROCK1CYP3A4WNT3A
SCHEMBL22306414 0.80 WNT3A (0.54) ROCK1PRKACACYP3A4WNT3A

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-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
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