SCHEMBL4249485

SCHEMBL4249485

C(=NCCN=Cc1nccs1)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
NOS1 P29475 1/20 0.36
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
FBP1 P09467 2/20 0.33
PDK1 Q15118 1/20 0.33
RIOK2 Q9BVS4 1/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
TRPA1 O75762 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
SCHEMBL4249483 1.00 HSD17B10 (0.36) HSD17B10ALDH1A1TSHRNOS1CDK4
SCHEMBL1255596 0.79 ALDH1A1 (0.40) HSD17B10ALDH1A1TSHRNOS1CDK4
SCHEMBL29769345 0.79 ALDH1A1 (0.40) HSD17B10ALDH1A1TSHRNOS1CDK4
SCHEMBL29769344 0.79 ALDH1A1 (0.40) HSD17B10ALDH1A1TSHRNOS1CDK4
SCHEMBL3856661 0.76
SCHEMBL3851408 0.76
SCHEMBL28778050 0.76
SCHEMBL5012851 0.76
SCHEMBL39666 0.72
SCHEMBL2403062 0.72 ALDH1A1 (0.42) HSD17B10ALDH1A1TSHRNOS1CDK4

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-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US claimed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US claimed
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US disclosed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US disclosed