SCHEMBL30772147

SCHEMBL30772147

CC(=O)Nc1nc(-c2cccc(C)c2)cs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.76
NPC1 O15118 9/20 0.70
RAB9A P51151 8/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
ALDH1A1 P00352 4/20 0.70
HSD17B10 Q99714 3/20 0.70
HTT P42858 2/20 0.70
HPGD P15428 1/20 0.70
MAPT P10636 5/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
NFKB1 P19838 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
TP53 P04637 1/20 0.61
CASP3 P42574 1/20 0.61
GFER P55789 1/20 0.61

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
SCHEMBL10812660 0.90 ROCK1 (0.62) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10923160 0.90 ABL1 (0.61) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28527743 0.86 MAPT (0.76) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29419362 0.85 ABL1 (1.00) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15689011 0.85 ABL1 (0.74) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18387706 0.85 ABL1 (1.00) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21224243 0.84 MAPT (0.61) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2020280 0.84 ABL1 (0.73) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30058875 0.84 ABL1 (0.72) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17149218 0.83 PHGDH (0.67) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1

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-2024027807-A1 USE OF AMINOTHIAZOLE DERIVATIVE IN PREPARING DRUG FOR IMMUNOLOGICAL INFLAMMATION 宁波亿诺药业有限公司 2024-02-08 WO disclosed