SCHEMBL7979565

SCHEMBL7979565

CCCn1c(=O)n(Cc2ccc(C#N)cc2)c(=O)c2ccc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 2/20 0.46
ADORA2B P29275 5/20 0.42
ADORA2A P29274 4/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
PARG Q86W56 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL7968478 0.83 KMT2A (0.53) HDAC8HDAC6HDAC1MAPTPARG
SCHEMBL7981601 0.78 BRPF1 (0.51) HDAC8HDAC6HDAC1PARG
SCHEMBL25724069 0.75 PARG (0.46) HDAC8HDAC6HDAC1KDM4EALDH1A1
SCHEMBL7429478 0.73 KDM4E (0.61) HDAC8HDAC6HDAC1KDM4EALDH1A1
SCHEMBL7968319 0.72 MEN1 (0.45) ALDH1A1GAAMAPT
SCHEMBL3240617 0.71 ADORA2A (0.47) ADORA2BADORA2AADORA3ADORA1
SCHEMBL14927365 0.69 PGR (0.50) ADORA2BADORA2APARG
SCHEMBL7981152 0.68 CYP11B1 (0.41) KDM4EALDH1A1
SCHEMBL9749159 0.67 HPGD (0.68) ALDH1A1GAAMAPTPARG
SCHEMBL9748739 0.67 CYP3A4 (0.68) ALDH1A1GAAMAPTPARG

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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed