SCHEMBL8026422

SCHEMBL8026422

Cn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)Cc3ccccc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.55
IMPDH2 P12268 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
PAX8 Q06710 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
ACSL1 P33121 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43
BRD4 O60885 1/20 0.41
BRD1 O95696 1/20 0.41
BRPF1 P55201 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
BRPF3 Q9ULD4 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
SCHEMBL8032933 0.92 F2 (0.53) F2IMPDH2SMN1; SMN2PAX8POLB
SCHEMBL8027058 0.88 F2 (0.70) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL8027395 0.87 F2 (0.52) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL8016793 0.84 F2 (0.59) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL8031770 0.83 F2 (0.54) F2IMPDH2SMN1; SMN2PAX8POLB
SCHEMBL8029893 0.83 F2 (0.46) F2SMN1; SMN2PAX8POLBLMNA
Hydrochloric Acid SCHEMBL8029612 0.83 F2 (0.77) F2ALDH1A1PKM
SCHEMBL8032270 0.83 F2 (0.72) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL8016259 0.82 F2 (0.58) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL8027045 0.82 F2 (0.45) F2SMN1; SMN2PAX8POLBLMNA

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