SCHEMBL8029757

SCHEMBL8029757

Cn1c(Nc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.55
PKM P14618 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
BRD4 O60885 1/20 0.50
PKLR P30613 2/20 0.49
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
GLO1 Q04760 1/20 0.45
GFER P55789 1/20 0.45
HTR6 P50406 1/20 0.45
PDE4B Q07343 1/20 0.44

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
SCHEMBL6634709 0.89 F2 (0.57) F2PKMMEN1KMT2ABRD4
SCHEMBL8026354 0.86 F2 (0.74) F2PKMMEN1KMT2ABRD4
SCHEMBL6634125 0.84 F2 (0.58) F2PKMMEN1KMT2ABRD4
SCHEMBL6636395 0.84 F2 (0.58) F2PKMMEN1KMT2ABRD4
SCHEMBL7985209 0.84 F2 (0.60) F2PKMMEN1KMT2ABRD4
Hydrochloric Acid SCHEMBL8031754 0.83 F2 (0.75) F2PKMMEN1KMT2ABRD4
SCHEMBL6638828 0.81 F2 (0.58) F2PKMMEN1KMT2ABRD4
SCHEMBL8026334 0.80 F2 (0.55) F2PKMMEN1KMT2ABRD4
SCHEMBL6633872 0.79 F2 (0.50) F2PKMMEN1KMT2ABRD4
SCHEMBL8026655 0.77 F2 (0.52) F2PKLRTP53ALDH1A1GAA

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