SCHEMBL10517092

SCHEMBL10517092

NCc1csc(-c2csc(N)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
ALDH1A1 P00352 9/20 0.46
NPC1 O15118 6/20 0.46
HSD17B10 Q99714 4/20 0.46
GFER P55789 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTA4H P09960 4/20 0.40
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
AR P10275 1/20 0.39
TYR P14679 1/20 0.39
MEN1 O00255 4/20 0.38

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
SCHEMBL10520440 0.77 HTT (0.47) MAPTALDH1A1NPC1HSD17B10GFER
SCHEMBL10519173 0.76 ALDH1A1 (0.41) MAPTALDH1A1NPC1HSD17B10GFER
SCHEMBL10518279 0.75 EHMT2 (0.44) MAPTALDH1A1NPC1HSD17B10GFER
SCHEMBL18724191 0.75 MAPT (0.53) MAPTALDH1A1NPC1HSD17B10GFER
SCHEMBL10520814 0.74 MAPT (0.64) MAPTALDH1A1NPC1HSD17B10GFER
SCHEMBL1665356 0.73 ALDH1A1 (0.48) MAPTALDH1A1NPC1HSD17B10GFER
SCHEMBL16003687 0.73 ALDH1A1 (0.58) MAPTALDH1A1NPC1HSD17B10GFER
SCHEMBL13825294 0.72 LTA4H (0.67) MAPTALDH1A1NPC1CYP3A4LTA4H
SCHEMBL10519613 0.70 ALDH1A1 (0.59) MAPTALDH1A1NPC1HSD17B10GFER
SCHEMBL27589585 0.70 ALDH1A1 (0.61) MAPTALDH1A1NPC1HSD17B10GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 EP disclosed