SCHEMBL9675977

SCHEMBL9675977

Cc1cc(C=O)c2c(c1)CCCN2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
ERN1 O75460 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 5/20 0.33
CASP1 P29466 2/20 0.33
GLA P06280 1/20 0.33
SRC P12931 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
MPI P34949 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
SCHEMBL6104087 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL15338767 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL12330396 0.75 NOTUM (0.39) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL20780397 0.73 HRH3 (0.41) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL9677304 0.71 KMT2A (0.36) ALDH1A1MEN1KMT2AHPGDMAPT
Hydrochloric Acid SCHEMBL9678474 0.70 KMT2A (0.35) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL17571698 0.70 KMT2A (0.35) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL1105731 0.69 KMT2A (0.55) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL17049861 0.69 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL12288815 0.69 MET (0.42) ALDH1A1MEN1KMT2AHPGDMAPT

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