SCHEMBL28474696

SCHEMBL28474696

Clc1ccc(-c2ccccc2-c2cocn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
SLC6A4 P31645 1/20 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
SCHEMBL741523 0.78 IDO1 (0.44) SCN9ANPC1RAB9AALDH1A1TP53
SCHEMBL10756988 0.75 ACHE (0.40) SCN9ANPC1RAB9ATSHRHSD17B10
SCHEMBL9862848 0.74 CYP1A2 (0.63) PTGS2PTGS1NPC1RAB9ATSHR
SCHEMBL31039985 0.73 L3MBTL1 (0.53) PTGS2PTGS1NPC1RAB9AHSD17B10
SCHEMBL16159513 0.73 SCN9A (0.46) SCN9AEDNRBEDNRAHDAC4CCR9
SCHEMBL31491188 0.72 CYP1A2 (0.60) PTGS2PTGS1NPC1RAB9ATSHR
SCHEMBL18045052 0.72 CYP1A2 (0.68) PTGS2PTGS1NPC1RAB9ATSHR
SCHEMBL11151194 0.72 CYP1A2 (0.60) PTGS2PTGS1NPC1RAB9ATSHR
SCHEMBL16159200 0.71 SCN9A (0.45) SCN9AEDNRBEDNRAHDAC4CCR9
SCHEMBL26259957 0.71 SCN9A (0.44) SCN9AEDNRBEDNRAHDAC4

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
CN-111925338-A Microwave preparation method of 2, 4-disubstituted oxazole compound 浙江工业大学 2020-11-13 CN disclosed