SCHEMBL19657314

SCHEMBL19657314

CNC(=O)c1cn(C)c2c(C(C)C)cc(C)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 5/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ NR4A2 P43354 1/20 0.41
▸ GAA P10253 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAP2K2 P36507 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32

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
SCHEMBL30993091 0.85 CREBBP (0.43) CREBBPBRD4NR4A2GAAKDM4E
SCHEMBL22822795 0.83 CREBBP (0.44) CREBBPBRD4NR4A2GAAKDM4E
SCHEMBL19657311 0.82 BRD4 (0.48) CREBBPBRD4NR4A2GAAKDM4E
SCHEMBL19657852 0.80 BRD4 (0.46) CREBBPBRD4NR4A2GAAKDM4E
SCHEMBL19657307 0.78 ALDH1A1 (0.44) CREBBPBRD4NR4A2GAAKDM4E
SCHEMBL19657300 0.78 BRD4 (0.43) CREBBPBRD4NR4A2GAAKDM4E
SCHEMBL21024059 0.78 BRD4 (0.43) CREBBPBRD4NR4A2GAAKDM4E
SCHEMBL27102751 0.72 GAA (0.36) GAAALDH1A1HTT
SCHEMBL19657565 0.72 NR4A2 (0.68) CREBBPBRD4NR4A2KDM4EL3MBTL1
SCHEMBL19657743 0.71 BRD4 (0.46) CREBBPBRD4NR4A2GAAKDM4E

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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