SCHEMBL8027001

SCHEMBL8027001

Cn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.74
NR1I2 O75469 1/20 0.51
HTR6 P50406 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
PAX8 Q06710 1/20 0.44
LMNA P02545 1/20 0.44
BRD1 O95696 1/20 0.43
BRPF1 P55201 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43

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
SCHEMBL8028343 0.91 F2 (0.75) F2NR1I2SMN1; SMN2POLBPAX8
SCHEMBL8016793 0.89 F2 (0.59) F2NR1I2SMN1; SMN2POLBPAX8
SCHEMBL8026354 0.87 F2 (0.74) F2
SCHEMBL8027058 0.86 F2 (0.70) F2SMN1; SMN2POLBPAX8LMNA
SCHEMBL8032270 0.85 F2 (0.72) F2NR1I2SMN1; SMN2POLBPAX8
SCHEMBL8031770 0.84 F2 (0.54) F2HTR6SMN1; SMN2POLBPAX8
Hydrochloric Acid SCHEMBL8030039 0.84 F2 (0.98) F2NR1I2HTR6
SCHEMBL8026892 0.84 F2 (0.53) F2HTR6SMN1; SMN2POLBPAX8
SCHEMBL8027395 0.83 F2 (0.52) F2SMN1; SMN2POLBPAX8LMNA
SCHEMBL8026422 0.82 F2 (0.55) F2SMN1; SMN2POLBPAX8LMNA

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