SCHEMBL8028279

SCHEMBL8028279

CCOC(=O)CCn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.59
BRPF1 P55201 5/20 0.47
CNR2 P34972 2/20 0.46
SMARCA2 P51531 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
PAX8 Q06710 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
BCHE P06276 1/20 0.43
BRD1 O95696 3/20 0.42
BRD4 O60885 2/20 0.42
BRD9 Q9H8M2 2/20 0.42
BRPF3 Q9ULD4 2/20 0.42
BRD7 Q9NPI1 1/20 0.42
ITK Q08881 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
SCHEMBL8143300 0.95 F2 (0.58) F2BRPF1CNR2SMARCA2SMN1; SMN2
SCHEMBL8029744 0.92 F2 (0.60) F2BRPF1CNR2SMARCA2SMN1; SMN2
SCHEMBL8026521 0.88 F2 (0.56) F2BRPF1CNR2SMARCA2SMN1; SMN2
SCHEMBL8017541 0.88 F2 (0.72) F2BRPF1CNR2SMARCA2SMN1; SMN2
SCHEMBL8026550 0.87 F2 (0.73) F2BRPF1SMARCA2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8016209 0.86 F2 (0.78) F2CNR2SMN1; SMN2ALDH1A1PKM
SCHEMBL8029677 0.86 F2 (0.44) F2CNR2BCHE
SCHEMBL8145525 0.86 F2 (0.52) F2BRPF1SMARCA2ALDH1A1PKM
SCHEMBL8026445 0.85 F2 (0.46) F2BRPF1CNR2BCHEBRD1
SCHEMBL8026439 0.84 F2 (0.62) F2BRPF1SMARCA2SMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed