SCHEMBL9677304

SCHEMBL9677304

Cc1cc(CO)c2c(c1)CCCN2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
RAD52 P43351 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.32
TTR P02766 1/20 0.32
POLB P06746 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17571698 0.83 KMT2A (0.35) KMT2AALDH1A1HPGDMEN1GAA
Hydrochloric Acid SCHEMBL9678474 0.83 KMT2A (0.35) KMT2AALDH1A1HPGDMEN1GAA
SCHEMBL15338767 0.78 ALDH1A1 (0.40) KMT2AALDH1A1HPGDMEN1GAA
SCHEMBL9827964 0.75 ALOX12 (0.40) KMT2AALDH1A1MEN1HRH3
SCHEMBL16317052 0.75 NOTUM (0.33) KMT2AALDH1A1HPGDMEN1GAA
SCHEMBL12330396 0.75 NOTUM (0.39) KMT2AALDH1A1HPGDMEN1GAA
SCHEMBL20780397 0.73 HRH3 (0.41) KMT2AALDH1A1HPGDMEN1GAA
SCHEMBL12288815 0.72 MET (0.42) KMT2AALDH1A1HPGDMEN1GAA
SCHEMBL9675977 0.71 ALDH1A1 (0.49) KMT2AALDH1A1HPGDMEN1GAA
SCHEMBL1105731 0.69 KMT2A (0.55) KMT2AALDH1A1HPGDMEN1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 EP disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP disclosed