SCHEMBL9796302

SCHEMBL9796302

Cn1cc(OS(C)(=O)=O)c(=O)c2ccc(OCC(F)(F)F)cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.37
SCN5A Q14524 2/20 0.37
HTR6 P50406 2/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9796242 0.87 ALDH1A1 (0.36) SCN9AHTR6ALDH1A1SMN1; SMN2POLB
SCHEMBL9796308 0.82 SCN9A (0.42) SCN9ASCN5AHTR6
SCHEMBL9796276 0.82 ALDH1A1 (0.51) SCN9AHTR6ALDH1A1
SCHEMBL9796502 0.81 ALDH1A1 (0.43) HTR6ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL9796294 0.80 ALDH1A1 (0.40) SCN9ASCN5AHTR6ALDH1A1SMN1; SMN2
SCHEMBL9796452 0.78 ATM (0.44) SCN9AHTR6ALDH1A1CYP1A2KDM4E
SCHEMBL9796325 0.76 TP53 (0.41) SCN9AALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL9869020 0.76 ALDH1A1 (0.37) SCN9ASCN5AHTR6ALDH1A1SMN1; SMN2
SCHEMBL9796539 0.75 CREBBP (0.40) SCN9AALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL9796274 0.75 NTRK1 (0.41) LMNACYP1A2KDM4EKMT2AMAOB

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
US-4997840-A Quinolone sulphonates having antihypertensive activity THE BOOTS COMPANY, PLC (GB) 1991-03-05 US disclosed
EP-0330340-A1 Therapeutic agents The Boots Company PLC (GB) 1989-08-30 EP disclosed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 WO disclosed