SCHEMBL18880280

SCHEMBL18880280

C/N=C/C(C)NCc1ccnc(CNCCCN(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.37
▸ TERT O14746 2/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ KDM5B Q9UGL1 8/20 0.36
▸ KDM5C P41229 6/20 0.36
▸ FERMT2 Q96AC1 1/20 0.34
▸ KDM5A P29375 5/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ KDM4C Q9H3R0 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM5D Q9BY66 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL18860200 0.85 SIRT2 (0.41) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16303307 0.80 SIRT2 (0.38) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16305525 0.76 TERT (0.44) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16292979 0.72 CHRM2 (0.41) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16305488 0.71 CHRM2 (0.43) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL18017098 0.71 SIRT2 (0.42) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16006936 0.70 CXCR4 (0.39) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16293473 0.70 TERT (0.39) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16305531 0.70 TERT (0.39) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL17984971 0.70 CHRM2 (0.40) SIRT2TERTCCNA2CDK2KDM5B

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
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
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