SCHEMBL18940503

SCHEMBL18940503

S=c1c2c([nH]c3cc4c(=S)c5ccccc5[nH]c4cc13)=CCCC=2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.53
▸ CCND1 P24385 1/20 0.53
▸ AHR P35869 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ GPR3 P46089 1/20 0.37
▸ KIF11 P52732 9/20 0.36
▸ TOP2A P11388 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 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
SCHEMBL19770686 0.80 CDK4 (0.75) CDK4CCND1AHRALDH1A1HSD17B10
SCHEMBL30646748 0.77 ALDH1A1 (0.46) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL10043500 0.77 ALDH1A1 (0.46) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL23369695 0.77 ALDH1A1 (0.53) AHRALDH1A1HSD17B10GPR3KMT2A
SCHEMBL29814291 0.73 ALDH1A1 (0.68) CDK4CCND1AHRALDH1A1HSD17B10
SCHEMBL29558542 0.73 ALDH1A1 (0.68) CDK4CCND1AHRALDH1A1HSD17B10
SCHEMBL745474 0.73 ALDH1A1 (0.68) CDK4CCND1AHRALDH1A1HSD17B10
SCHEMBL17755365 0.71 KDM4E (0.53) ALDH1A1HSD17B10GPR3KMT2AHPGD
SCHEMBL20115923 0.71 ALDH1A1 (0.43) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL6689351 0.69 CDK4 (1.00) CDK4CCND1AHRALDH1A1HSD17B10

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-2017093453-A1 DETECTOR FOR OPTICALLY DETECTING AT LEAST ONE OBJECT TRINAMIX GMBH (DE) 2017-06-08 — — WO disclosed
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