SCHEMBL22305489

SCHEMBL22305489

CC(C)(C)n1ccc(C(=O)NCC(=O)Nc2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ ELOVL1 Q9BW60 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SLC12A2 P55011 1/20 0.48
▸ SLC12A5 Q9H2X9 1/20 0.48
▸ PARP1 P09874 2/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47

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
SCHEMBL22305493 0.90 MAPT (0.47) MAPTNPC1RAB9AALDH1A1HDAC3
SCHEMBL22305360 0.90 SMN1; SMN2 (0.50) MAPTELOVL1NPC1CASP3RAB9A
SCHEMBL22290384 0.89 KMT2A (0.48) MAPTMAPK1ALDH1A1HDAC3HDAC4
SCHEMBL22306234 0.89 HDAC3 (0.52) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL22305521 0.88 ELOVL1 (0.43) ELOVL1HDAC3HDAC1HDAC2HDAC10
SCHEMBL22290665 0.88 PARP1 (0.45) MAPTPARP1ALDH1A1HDAC4
SCHEMBL22306605 0.88 HDAC3 (0.46) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL22305379 0.88 ADORA3 (0.53) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL22290277 0.88 ALDH1A1 (0.56) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL31173366 0.88 ALDH1A1 (0.56) MAPTNPC1RAB9AALDH1A1MEN1

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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