SCHEMBL27625630

SCHEMBL27625630

Cc1ncc(-c2ccc(CN)cc2F)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.39
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC5 Q9UQL6 4/20 0.38
▸ GRM2 Q14416 2/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ GRM8 O00222 1/20 0.35
▸ GRM6 O15303 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ GRM3 Q14832 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ SOAT1 P35610 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ DPP4 P27487 2/20 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
SCHEMBL24288140 0.80 KMO (0.38) HDAC1ALOX5APFEN1ADRA2AADRA2C
SCHEMBL25592271 0.71 NSD2 (0.41) NSD2HDAC1HDAC6HDAC5LOXL2
SCHEMBL1912409 0.69 PDE3B (0.45) NSD2LOXL2
SCHEMBL24459502 0.69 MAOB (0.46) NSD2HDAC1HDAC6HDAC5LOXL2
SCHEMBL23564745 0.67 LOXL2 (0.39) LOXL2
SCHEMBL716197 0.66 LOXL2 (0.46) HDAC1HDAC6LOXL2ROCK1
SCHEMBL29615504 0.66 AKT2 (0.49) LOXL2USP7AKT2
SCHEMBL22918661 0.66 AKT2 (0.49) LOXL2USP7AKT2
SCHEMBL23967513 0.65 SMN1; SMN2 (0.33) —
SCHEMBL28956664 0.65 ALOX5AP (0.48) NSD2GRM2LOXL2ALOX5APFEN1

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-100357297-C Pyrimidines, method for the production thereof and use thereof BASF AG (DE) 2007-12-26 — — CN disclosed
CN-1747958-A Pyrimidines, methods for the production thereof, and use thereof BASF AG (DE) 2006-03-15 — — CN disclosed
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