SCHEMBL9517440

SCHEMBL9517440

Nc1ccc2nc(OC(F)(F)C(F)(F)F)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 10/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
GAA P10253 5/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 3/20 0.46
PKM P14618 3/20 0.46
TP53 P04637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
SCN4A P35499 2/20 0.46
APP P05067 2/20 0.46
LMNA P02545 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL7495276 0.88 SMN1; SMN2 (0.55) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL31219323 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL14726160 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL5028769 0.75 SMN1; SMN2 (0.45) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL9518625 0.73 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL8652406 0.73 RAB9A (0.78) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL20856609 0.72 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL22130237 0.72 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL11816243 0.72 APP (0.58) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL9848729 0.71 NPC1 (0.66) SMN1; SMN2MAPTNPC1RAB9AGAA

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-0374040-B1 2-IMINO-BENZOTHIAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM RHONE-POULENC SANTE (FR) 1993-03-24 EP disclosed
EP-0374040-A1 2-Imino-benzothiazoline derivatives, processes for their preparation and medicaments containing them RHONE-POULENC SANTE (FR) 1990-06-20 EP disclosed