SCHEMBL29079394

SCHEMBL29079394

NC(=O)c1cc(C(N)=O)c(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
POLB P06746 2/20 0.39
PARP1 P09874 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
AKR1C3 P42330 1/20 0.34
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL499452 0.91 DHODH (0.40) DHODHHSD17B10CYP3A4POLBPARP1
SCHEMBL11259893 0.83 DHODH (0.40) DHODHHSD17B10CYP3A4POLBPARP1
SCHEMBL23503 0.79 CA12 (0.48) HSD17B10TDP1TSHRMAPTCDC25A
SCHEMBL28178721 0.78 HSD17B10 (0.38) HSD17B10CYP3A4TDP1TSHRMAPT
Ammonia Solution, Strong SCHEMBL29150232 0.77 HSD17B10 (0.37) HSD17B10CYP3A4TDP1TSHRMAPT
Ammonia Solution, Strong SCHEMBL29150230 0.77 HSD17B10 (0.37) HSD17B10CYP3A4TDP1TSHRMAPT
Ammonia Solution, Strong SCHEMBL27387572 0.77 CA12 (0.46) HSD17B10TDP1TSHRMAPTCDC25A
SCHEMBL1725486 0.74 HSD17B10 (0.52) HSD17B10CYP3A4POLBPARP1TDP1
SCHEMBL6597584 0.74 HSD17B10 (0.52) HSD17B10CYP3A4POLBPARP1TDP1
SCHEMBL4306945 0.72 PARP1 (0.43) DHODHHSD17B10CYP3A4POLBPARP1

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-116814119-A Bottom anti-reflective coating composition and pattern forming method 长鑫存储技术有限公司 2023-09-29 CN disclosed