SCHEMBL30902133

SCHEMBL30902133

Fc1ccc(SCc2ccccc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.59
L3MBTL1 Q9Y468 3/20 0.48
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 3/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 2/20 0.43
CXCR1 P25024 2/20 0.42
PKM P14618 1/20 0.42
TERT O14746 1/20 0.42

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
SCHEMBL1827266 1.00 CXCR2 (0.59) CXCR2L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL6482247 0.80 L3MBTL1 (0.49) CXCR2L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL29620897 0.79 L3MBTL1 (0.48) CXCR2L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL30553438 0.79 L3MBTL1 (0.48) CXCR2L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL5648662 0.79 L3MBTL1 (0.48) CXCR2L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL16011599 0.79 L3MBTL1 (0.50) CXCR2L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL2995142 0.79 L3MBTL1 (0.48) CXCR2L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL15359704 0.79 L3MBTL1 (0.48) CXCR2L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL18059460 0.79 L3MBTL1 (0.48) CXCR2L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL11973215 0.79 L3MBTL1 (0.48) CXCR2L3MBTL1HSD17B10RAB9ANPC1

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-117957219-A Pyridine derivative and application thereof 四川汇宇制药股份有限公司 2024-04-30 CN disclosed