SCHEMBL9518625

SCHEMBL9518625

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
MAPT P10636 9/20 0.50
GAA P10253 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 3/20 0.50
GLA P06280 3/20 0.50
APP P05067 2/20 0.49
KEAP1 Q14145 1/20 0.49
PKM P14618 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 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
SCHEMBL20856609 0.86 SMN1; SMN2 (0.56) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL5448236 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL19132858 0.74 SMN1; SMN2 (0.54) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL9517440 0.73 SMN1; SMN2 (0.49) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL9717710 0.73 SMN1; SMN2 (0.61) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL334946 0.72 RAB9A (0.66) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL7495276 0.72 SMN1; SMN2 (0.55) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL30500275 0.71 SMN1; SMN2 (0.63) SMN1; SMN2MAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL3851081 0.71 RAB9A (0.63) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL2055263 0.71 SMN1; SMN2 (0.63) SMN1; SMN2MAPTGAANPC1RAB9A

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