SCHEMBL3348202

SCHEMBL3348202

O=C(O)Nc1nc2ccc(OCCF)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 9/20 0.59
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPT P10636 5/20 0.57
TP53 P04637 3/20 0.57
SCD O00767 2/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.56
USP2 O75604 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 2/20 0.54
CSNK1D P48730 1/20 0.54
DYRK1A Q13627 2/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL2482989 0.84 SCD (0.72) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2481628 0.82 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2514126 0.81 MAPT (0.70) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2483129 0.81 ALDH1A1 (0.68) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3648836 0.80 SMN1; SMN2 (0.54) LMNASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL18154178 0.80 DYRK1A (0.79) LMNASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL30101680 0.79 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL3655027 0.78 CSNK1D (0.57) LMNASMN1; SMN2NPC1RAB9AHSD17B10
Tioxidazole SCHEMBL23382 0.77 LMNA (1.00) LMNASMN1; SMN2NPC1RAB9AHSD17B10
Tioxidazole SCHEMBL1033860 0.77 LMNA (1.00) LMNASMN1; SMN2NPC1RAB9AHSD17B10

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
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed