SCHEMBL24405342

SCHEMBL24405342

Cc1cc2c(cc1N)CCCN2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 6/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
TNKS O95271 2/20 0.35
PARP1 P09874 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
WDR5 P61964 1/20 0.35
ATAD2 Q6PL18 1/20 0.34

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
SCHEMBL12428932 0.93 HSD17B10 (0.46) HSD17B10ALDH1A1GAAHPGDMEN1
SCHEMBL15628980 0.85 ALDH1A1 (0.50) HSD17B10ALDH1A1GAAHPGDMEN1
SCHEMBL30896337 0.81 ALDH1A1 (0.44) HSD17B10ALDH1A1GAAHPGDMEN1
SCHEMBL22476657 0.78 ALDH1A1 (0.42) HSD17B10ALDH1A1GAAHPGDMEN1
SCHEMBL11934153 0.76 ALDH1A1 (0.43) HSD17B10ALDH1A1GAAHPGDMEN1
SCHEMBL25558931 0.74 HSD17B10 (0.45) HSD17B10DRD2DRD1DRD5
SCHEMBL21468535 0.73 S100B (0.38) HSD17B10ALDH1A1GAAHPGDMEN1
SCHEMBL520908 0.73 BRD4 (0.51) ALDH1A1GAAHPGDMEN1MAPT
SCHEMBL30464716 0.73 ALDH1A1 (0.58) HSD17B10ALDH1A1GAAHPGDMEN1
SCHEMBL1453685 0.73 ALDH1A1 (0.58) HSD17B10ALDH1A1GAAHPGDMEN1

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
EP-3715423-B1 HIGH WET FAST DISPERSE DYE MIXTURES OF N-[4-(5-FLUORO-2,4-DINITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES AND N-[4-(4-NITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES DYSTAR COLOURS DISTRIB GMBH (DE) 2022-05-11 EP disclosed