SCHEMBL14799985

SCHEMBL14799985

O=C(O)Nc1cccc2c1S2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 3/20 0.35
CD69 Q07108 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1226530 0.73 SMN1; SMN2 (0.54) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL29519193 0.73 SMN1; SMN2 (0.54) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL14549202 0.72 KDM4E (0.52) MAPTGAAGPR35MEN1KMT2A
SCHEMBL4623246 0.72 MAPT (0.50) MAPTNPC1RAB9AHPGDPOLB
Hydrochloric Acid SCHEMBL11403968 0.70 KDM4E (0.50) MAPTGAAGPR35MEN1KMT2A
Hydrochloric Acid SCHEMBL11412334 0.70 MAPT (0.48) MAPTNPC1RAB9AHPGDPOLB
SCHEMBL3380172 0.67 POLB (0.60) MAPTGAAMEN1KMT2ANPC1
SCHEMBL24027644 0.67 MAPT (0.50) MAPTGAAMEN1KMT2ANPC1
SCHEMBL10828925 0.66 RAB9A (0.45) MAPTGPR35MEN1KMT2ANPC1
SCHEMBL665339 0.66 RAB9A (0.75) NPC1RAB9AHPGDPOLBALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130079449-A1 Polymer Composition and Method SOLVAY SA (BE) 2013-03-28 US disclosed