SCHEMBL7981601

SCHEMBL7981601

CCCn1c(=O)n(Cc2ccc(C#N)cc2)c(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 6/20 0.51
SMARCA2 P51531 1/20 0.50
IMPDH2 P12268 2/20 0.49
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
TRIM24 O15164 1/20 0.45
BRD1 O95696 4/20 0.45
BRPF3 Q9ULD4 3/20 0.45
BRD4 O60885 2/20 0.45
BRD9 Q9H8M2 2/20 0.45
BRD7 Q9NPI1 1/20 0.45
PARG Q86W56 4/20 0.43
MAPK8 P45983 1/20 0.42
SERPINE1 P05121 1/20 0.42
AR P10275 1/20 0.42
F2 P00734 1/20 0.41

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
Hydrochloric Acid SCHEMBL7984418 0.83 F2 (0.59) HDAC8HDAC6HDAC1TRIM24MAPK8
SCHEMBL7968319 0.82 MEN1 (0.45) BRD4F2
SCHEMBL7428683 0.78 BRPF1 (0.52) BRPF1SMARCA2IMPDH2HDAC8HDAC6
SCHEMBL7979565 0.78 HDAC8 (0.46) HDAC8HDAC6HDAC1PARG
SCHEMBL8033052 0.76 F2 (0.62) BRPF1SMARCA2IMPDH2TRIM24BRD1
Hydrochloric Acid SCHEMBL7968287 0.75 F2 (0.55) F2
SCHEMBL7968478 0.74 KMT2A (0.53) HDAC8HDAC6HDAC1PARG
SCHEMBL7479090 0.74 BRPF1 (0.52) BRPF1SMARCA2IMPDH2BRD1BRPF3
SCHEMBL8017541 0.74 F2 (0.72) BRPF1SMARCA2BRD1BRPF3BRD4
Hydrochloric Acid SCHEMBL7981610 0.72 F2 (0.56) F2

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