SCHEMBL10355341

SCHEMBL10355341

OCc1nc[nH]c1-c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.59
FYN P06241 2/20 0.44
NUDT1 P36639 2/20 0.43
KMO O15229 2/20 0.39
HRH1 P35367 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
NOTUM Q6P988 1/20 0.38
SCN2A Q99250 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
SCHEMBL10355246 0.80 IDO1 (0.41) IDO1KDM4ECYP3A4MAPTNOTUM
SCHEMBL7442855 0.80 KDM4E (0.60) IDO1FYNKDM4ECYP3A4MAPT
SCHEMBL11004015 0.79 DYRK1A (0.47) IDO1FYNCYP3A4MAPT
Hydrochloric Acid SCHEMBL10355387 0.79 SMN1; SMN2 (0.41) IDO1KDM4ECYP3A4MAPTNOTUM
SCHEMBL10355617 0.79 IDO1 (0.52) IDO1HRH1KDM5BMAPT
Hydrochloric Acid SCHEMBL10355391 0.78 KDM4E (0.58) IDO1FYNKDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL10355432 0.78 DYRK1A (0.46) IDO1FYNCYP3A4MAPT
SCHEMBL10355322 0.75 CYP11B1 (0.44) IDO1KDM4ECYP3A4MAPT
SCHEMBL28404602 0.71 NUDT1 (0.51) FYNNUDT1KMO
SCHEMBL10355390 0.71 CYP2A6 (0.38) IDO1KDM4ECYP3A4MAPT

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-0074130-B1 NEW IMIDAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON S.p.A. (IT) 1990-09-19 EP disclosed
US-4560696-A Analgesic, antipyretic or anti-inflammatory imidazole compounds ZAMBON S.P.A. (IT) 1985-12-24 US disclosed
EP-0074130-A2 New imidazole compounds, process for the preparation thereof and pharmaceutical compositions containing them ZAMBON S.p.A. (IT) 1983-03-16 EP disclosed