SCHEMBL8028475

SCHEMBL8028475

Cn1c(Cc2ccc(C#N)cc2)nc2cc(NC(=O)CNS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.56
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
PAX8 Q06710 1/20 0.45
TSHR P16473 1/20 0.44
RECQL P46063 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
SCHEMBL8027058 0.86 F2 (0.70) F2ALDH1A1PKMLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8026353 0.85 F2 (0.75) F2ALDH1A1PKM
SCHEMBL8029978 0.78 F2 (0.60) F2LMNASMN1; SMN2POLBPAX8
SCHEMBL8026422 0.78 F2 (0.55) F2ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL8016259 0.78 F2 (0.58) F2PKMLMNASMN1; SMN2POLB
SCHEMBL8028365 0.78 F2 (0.73) F2ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL8028421 0.78 F2 (0.49) F2PKMLMNAKMT2ASMN1; SMN2
SCHEMBL6637025 0.78 PAX8 (0.64) F2ALDH1A1PKMRAB9ALMNA
SCHEMBL8032270 0.77 F2 (0.72) F2LMNASMN1; SMN2POLBPAX8
SCHEMBL8027395 0.77 F2 (0.52) F2LMNASMN1; SMN2POLBPAX8

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