SCHEMBL9796460

SCHEMBL9796460

CN(C=O)c1cc(F)c(F)cc1C(=O)CCl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ APEX1 P27695 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
SCHEMBL9796401 0.82 ALDH1A1 (0.39) GSK3BALDH1A1MAPK1HIF1ARAB9A
SCHEMBL9722935 0.82 ALDH1A1 (0.39) GSK3BALDH1A1MAPK1HIF1ARAB9A
SCHEMBL9796520 0.80 TSHR (0.34) ALDH1A1HTTSMN1; SMN2ERN1POLB
SCHEMBL9796593 0.77 ALDH1A1 (0.54) GSK3BALDH1A1MAPK1HIF1ARAB9A
SCHEMBL9796449 0.77 RAB9A (0.46) GSK3BALDH1A1MAPK1HIF1ARAB9A
SCHEMBL9796608 0.76 MAPT (0.36) GSK3BALDH1A1RAB9AMITFHTT
SCHEMBL9796448 0.74 ALDH1A1 (0.42) GSK3BALDH1A1MAPK1HIF1ARAB9A
SCHEMBL9796488 0.74 RAB9A (0.45) ALDH1A1MAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL2795538 0.72 GSK3B (0.44) GSK3BALDH1A1MAPK1HIF1ARAB9A
SCHEMBL9516561 0.69 ALDH1A1 (0.55) GSK3BALDH1A1MAPK1HIF1ARAB9A

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
US-4997840-A Quinolone sulphonates having antihypertensive activity THE BOOTS COMPANY, PLC (GB) 1991-03-05 — — US disclosed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 — — WO disclosed
Send feedback