SCHEMBL8038732

SCHEMBL8038732

O=CN(Cl)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 5/20 0.38
ALOX15 P16050 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 3/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SRD5A2 P31213 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.32
TSHR P16473 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
SCHEMBL3096128 0.77 HSD17B10 (0.46) HSD17B10LMNACYP2A6ALDH1A1ALOX15
SCHEMBL3155192 0.77 ALDH1A1 (0.39) LMNACYP2A6ALDH1A1ALOX15HPGD
SCHEMBL9499893 0.73 HSD17B10 (0.42) HSD17B10LMNACYP2A6ALDH1A1ALOX15
SCHEMBL2096460 0.73 ALDH1A1 (0.45) HSD17B10LMNACYP2A6ALDH1A1ALOX15
SCHEMBL28585831 0.73 HSD17B10 (0.38) HSD17B10LMNACYP2A6ALDH1A1ALOX15
SCHEMBL10825711 0.71 HSD17B10 (0.41) HSD17B10LMNACYP2A6ALDH1A1ALOX15
SCHEMBL28869065 0.70 TSHR (0.42) HSD17B10LMNACYP2A6ALDH1A1ALOX15
SCHEMBL8420935 0.70 HSD17B10 (0.44) HSD17B10CYP2A6ALDH1A1ALOX15HPGD
SCHEMBL6404489 0.69 ALDH1A1 (0.41) HSD17B10LMNACYP2A6ALDH1A1ALOX15
SCHEMBL29429137 0.67 HSD17B10 (0.73) HSD17B10CYP2A6ALDH1A1KDM4ECYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4017468-A IMIDE-MODIFIED TERPOLYMERSSULFUR-CURED RUBBER, TIRES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-04-12 US claimed
EP-0989171-A1 N-halothio-amide-modified elastomers and their application as adhesives for precured elastomeric substrates THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-03-29 EP disclosed
US-4017468-A IMIDE-MODIFIED TERPOLYMERSSULFUR-CURED RUBBER, TIRES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-04-12 US disclosed