SCHEMBL8029609

SCHEMBL8029609

CN(C)CCS(=O)(=O)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.47
F2 P00734 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BRD1 O95696 1/20 0.41
BRPF1 P55201 1/20 0.41
RECQL P46063 1/20 0.41
RORC P51449 1/20 0.41
HTT P42858 1/20 0.39
ACSL1 P33121 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL7981516 0.87 BRPF1 (0.42) CNR2F2BRD1BRPF1ALDH1A1
SCHEMBL8140470 0.85 ALDH1A1 (0.51) CNR2F2MEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL8032991 0.82 F2 (0.65) CNR2F2MEN1KMT2ARECQL
SCHEMBL8026894 0.81 F2 (0.56) CNR2F2MEN1KMT2ABRD1
SCHEMBL8028421 0.81 F2 (0.49) CNR2F2MEN1KMT2ARECQL
SCHEMBL8029840 0.79 SMN1; SMN2 (0.52) CNR2MEN1KMT2ARECQLRORC
SCHEMBL8016797 0.78 F2 (0.71) CNR2F2MEN1KMT2ABRD1
SCHEMBL8016259 0.77 F2 (0.58) F2BRD1BRPF1PKM
SCHEMBL8016413 0.77 F2 (0.43) CNR2F2MEN1KMT2ARECQL
SCHEMBL8027395 0.75 F2 (0.52) F2BRD1BRPF1

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