SCHEMBL19657300

SCHEMBL19657300

C=C(C)c1cc(C)cc2c(C(=O)NC)cn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.43
▸ CREBBP Q92793 4/20 0.42
▸ NR4A2 P43354 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAP2K1 Q02750 2/20 0.32
▸ MAP2K2 P36507 1/20 0.32
▸ BAZ2B Q9UIF8 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PTPN7 P35236 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ MAOB P27338 1/20 0.30

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
SCHEMBL22822411 0.83 CREBBP (0.43) BRD4CREBBPNR4A2KDM4EALDH1A1
SCHEMBL19657311 0.82 BRD4 (0.48) BRD4CREBBPNR4A2KDM4EALDH1A1
SCHEMBL19657852 0.80 BRD4 (0.46) BRD4CREBBPNR4A2KDM4EALDH1A1
SCHEMBL19657314 0.78 CREBBP (0.44) BRD4CREBBPNR4A2KDM4EALDH1A1
SCHEMBL19657307 0.78 ALDH1A1 (0.44) BRD4CREBBPNR4A2KDM4EALDH1A1
SCHEMBL19657565 0.72 NR4A2 (0.68) BRD4CREBBPNR4A2KDM4EL3MBTL1
SCHEMBL19657743 0.71 BRD4 (0.46) BRD4CREBBPNR4A2KDM4EALDH1A1
SCHEMBL19657313 0.71 CREBBP (0.49) BRD4CREBBPNR4A2BAZ2B
SCHEMBL22822275 0.70 BRD4 (0.44) BRD4CREBBPNR4A2KDM4EALDH1A1
SCHEMBL21024059 0.69 BRD4 (0.43) BRD4CREBBPNR4A2KDM4EALDH1A1

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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