SCHEMBL8030571

SCHEMBL8030571

CCOC(=O)CCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.44
ALDH1A1 P00352 6/20 0.42
PKM P14618 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ACSL1 P33121 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
HCRTR2 O43614 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
GALR3 O60755 1/20 0.38

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
SCHEMBL6779790 0.90 TSHR (0.42) F2ALDH1A1PKMGAAMEN1
SCHEMBL8028112 0.88 GAA (0.52) ALDH1A1PKMGAAMEN1RECQL
Hydrochloric Acid SCHEMBL8030537 0.87 F2 (0.58) F2
SCHEMBL8015892 0.86 GAA (0.51) ALDH1A1PKMGAAMEN1RECQL
SCHEMBL8015916 0.85 GAA (0.51) ALDH1A1PKMGAAMEN1RECQL
SCHEMBL6780395 0.85 NQO2 (0.50) F2ALDH1A1PKMGAAMEN1
SCHEMBL8016344 0.84 GAA (0.53) ALDH1A1PKMGAAMEN1RECQL
SCHEMBL8029957 0.84 F2 (0.40) F2ALDH1A1HCRTR2POLB
SCHEMBL8030543 0.84 GAA (0.46) ALDH1A1PKMGAAMEN1RECQL
SCHEMBL8028179 0.83 F2 (0.50) F2ACSL1

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