SCHEMBL19657311

SCHEMBL19657311

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.48
▸ NR4A2 P43354 1/20 0.45
▸ CREBBP Q92793 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GLA P06280 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.35
▸ MAP2K2 P36507 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ THRB P10828 2/20 0.33

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
SCHEMBL19657743 0.85 BRD4 (0.46) BRD4NR4A2CREBBPALDH1A1KDM4E
SCHEMBL19657852 0.85 BRD4 (0.46) BRD4NR4A2CREBBPALDH1A1KDM4E
SCHEMBL22822275 0.84 BRD4 (0.44) BRD4NR4A2CREBBPALDH1A1KDM4E
SCHEMBL19657300 0.82 BRD4 (0.43) BRD4NR4A2CREBBPALDH1A1KDM4E
SCHEMBL19657307 0.82 ALDH1A1 (0.44) BRD4NR4A2CREBBPALDH1A1KDM4E
SCHEMBL21024059 0.82 BRD4 (0.43) BRD4NR4A2CREBBPALDH1A1KDM4E
SCHEMBL19657314 0.82 CREBBP (0.44) BRD4NR4A2CREBBPALDH1A1KDM4E
SCHEMBL23809451 0.82 KDM4E (0.44) ALDH1A1KDM4EL3MBTL1MTNR1AMTNR1B
SCHEMBL19657565 0.76 NR4A2 (0.68) BRD4NR4A2CREBBPKDM4EL3MBTL1
SCHEMBL19657313 0.76 CREBBP (0.49) BRD4NR4A2CREBBPBAZ2B

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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