SCHEMBL7985209

SCHEMBL7985209

Cn1c(=O)c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.60
BRD4 O60885 2/20 0.47
PKM P14618 2/20 0.47
PKLR P30613 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
BRPF1 P55201 3/20 0.44
BRD1 O95696 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
BRD7 Q9NPI1 1/20 0.43
BRPF3 Q9ULD4 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL8026354 0.89 F2 (0.74) F2BRD4PKMPKLRMEN1
SCHEMBL6634709 0.85 F2 (0.57) F2BRD4PKMPKLRMEN1
Hydrochloric Acid SCHEMBL7984494 0.85 F2 (0.80) F2
SCHEMBL8029757 0.84 F2 (0.55) F2BRD4PKMPKLRMEN1
SCHEMBL6636395 0.84 F2 (0.58) F2BRD4PKMPKLRMEN1
SCHEMBL8026334 0.83 F2 (0.55) F2BRD4PKMPKLRMEN1
SCHEMBL7981348 0.83 BRPF1 (0.56) F2BRD4PKMBRPF1BRD1
SCHEMBL6634125 0.81 F2 (0.58) F2BRD4PKMPKLRMEN1
SCHEMBL6633872 0.79 F2 (0.50) F2BRD4PKMPKLRMEN1
SCHEMBL7430469 0.79 F2 (0.54) F2PKMBRPF1TP53ALDH1A1

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