SCHEMBL9538516

SCHEMBL9538516

CCOC(=O)c1ccc(N)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL9538792 0.84 MAPT (0.40) MAPTALDH1A1KDM4EHPGDKMT2A
SCHEMBL9535502 0.82 MAPT (0.46) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL9534191 0.81 GSTP1 (0.50) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL9535539 0.81 MAPK14 (0.42) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL9534376 0.80 MAPK14 (0.46) MAPTALDH1A1KDM4EHPGDMAPK14
SCHEMBL8125467 0.79 LMNA (0.57) ALDH1A1NPC1LMNACYP1A2CYP3A4
SCHEMBL9535727 0.79 ALDH1A1 (0.40) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL9537015 0.79 MAPK14 (0.48) MAPTALDH1A1KDM4EHPGDCYP1A2
SCHEMBL9536752 0.78 ALDH1A1 (0.43) MAPTALDH1A1KDM4EHPGDNPC1
Diethylamine SCHEMBL9537391 0.78 MAPK14 (0.41) MAPTALDH1A1KDM4EHPGDGAA

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-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed