SCHEMBL3695322

SCHEMBL3695322

NC(=S)Nc1nc2c(OC(F)(F)F)cccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 4/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
DYRK1A Q13627 1/20 0.48
PKM P14618 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
DUSP3 P51452 2/20 0.43
CHRM4 P08173 1/20 0.43
HPGD P15428 2/20 0.41
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.41
PPARG P37231 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41

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
SCHEMBL1420069 0.75 CYP3A4 (0.64) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3057518 0.75 SCN9A (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL2750042 0.72 F2RL3 (0.46) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL29022051 0.72 F2RL3 (0.46) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL2396893 0.72 ALDH1A1 (0.64) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3695319 0.72 F2RL3 (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL18355807 0.70 DYRK1A (0.74) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8977761 0.70 F2RL3 (0.47) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3050805 0.69 DYRK1A (0.78) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8683276 0.68 MAPT (1.00) MAPTALDH1A1GAAMEN1KMT2A

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-2190829-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES Rottapharm S.p.A. (IT) 2010-06-02 EP disclosed
WO-2009040331-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM S.P.A. (IT) 2009-04-02 WO disclosed