SCHEMBL7906022

SCHEMBL7906022

Cc1cc(C#N)c(C)c(C)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
MAPT P10636 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
TSHR P16473 1/20 0.39
RECQL P46063 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
UPP1 Q16831 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.35
GAA P10253 3/20 0.33
GLA P06280 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
SCHEMBL10872733 0.81 TSHR (0.39) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL7152228 0.81 TSHR (0.39) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL14349076 0.80 TSHR (0.42) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL8135367 0.80 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL1926225 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL16127309 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL15061127 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL22579171 0.77 TSHR (0.39) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL29913745 0.76 TSHR (0.42) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL18058807 0.76 TSHR (0.39) KDM4EALDH1A1TSHRRECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197867-B1 DINITRILE PROCESSING AIDS THE GOODYEAR TIRE & RUBBER COMPANY 2001-03-06 US claimed
US-8809488-B2 Carboxylated polymers of intrinsic microporosity (PIMs) with tunable gas transport properties NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2014-08-19 US disclosed
US-6197867-B1 DINITRILE PROCESSING AIDS THE GOODYEAR TIRE & RUBBER COMPANY 2001-03-06 US disclosed
EP-0965613-A1 Rubber compositions containing organo-nitriles THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-12-22 EP disclosed