SCHEMBL2875618

SCHEMBL2875618

CC(C)(C)NC(=O)c1csc(Nc2ccccc2Cl)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
KDM1A O60341 3/20 0.70
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HPGD P15428 3/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
TRPC3 Q13507 1/20 0.56
TRPC6 Q9Y210 1/20 0.56
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL13101601 0.82 AMY1A (0.58) RAB9AKDM1AMAPTGAAMEN1
SCHEMBL798528 0.81 NPC1 (0.77) NPC1RAB9AKDM1AALDH1A1SMN1; SMN2
SCHEMBL14422247 0.78 RAB9A (0.64) NPC1RAB9AKDM1AALDH1A1SMN1; SMN2
SCHEMBL2880884 0.78 KDM1A (0.72) NPC1RAB9AKDM1AALDH1A1SMN1; SMN2
SCHEMBL14422248 0.78 NPC1 (0.60) NPC1RAB9AKDM1AALDH1A1SMN1; SMN2
SCHEMBL789722 0.77 MAPT (0.73) NPC1RAB9AKDM1AALDH1A1SMN1; SMN2
SCHEMBL18233030 0.75 L3MBTL1 (0.42) NPC1RAB9AKDM1AALDH1A1SMN1; SMN2
SCHEMBL12268249 0.75 NPC1 (0.53) NPC1RAB9AKDM1AALDH1A1SMN1; SMN2
SCHEMBL789085 0.73 NPC1 (0.98) NPC1RAB9AKDM1AALDH1A1SMN1; SMN2
SCHEMBL14662146 0.73 CTSA (0.60) NPC1RAB9AKDM1A

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-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed