SCHEMBL27876010

SCHEMBL27876010

C=CC=Cc1ccccc1CN

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.39
DPP4 P27487 2/20 0.36
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
ALDH1A1 P00352 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FFAR1 O14842 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL14452362 0.80 CDK4 (0.38) CDK4CCND1ALDH1A1PTGER4PTGER3
SCHEMBL12802428 0.80 CDK4 (0.38) CDK4CCND1ALDH1A1PTGER4PTGER3
SCHEMBL8105276 0.80 CDK4 (0.52) PNMTDPP4CDK4CCND1ALDH1A1
SCHEMBL13781655 0.80 CDK4 (0.32) CDK4CCND1ALDH1A1PTGER4PTGER3
SCHEMBL11816385 0.80 GABRA1 (0.41) ALDH1A1PTGER4PTGER3PTGER2KDM4E
SCHEMBL12802431 0.80 CDK4 (0.38) CDK4CCND1ALDH1A1PTGER4PTGER3
SCHEMBL7396641 0.79 PNMT (0.41) PNMTDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27629319 0.79 PNMT (0.46) PNMTDPP4PTGER4PTGER3PTGER2
SCHEMBL23766505 0.79 PNMT (0.35) PNMT
SCHEMBL263092 0.79 PNMT (0.44) PNMTDPP4ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731722-B For the production of the method for modified conjugated diene polymer, modified conjugated diene polymer and polymer composition SUMITOMO CHEMICAL CO., LTD. (JP) 2016-03-16 CN disclosed
CN-102731722-A Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL CO 2012-10-17 CN disclosed