SCHEMBL30498656

SCHEMBL30498656

Cc1ccc(CNC(=O)c2cccc(C)c2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ MT-CO2 P00403 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GAA P10253 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ GLA P06280 1/20 0.50

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
SCHEMBL1034235 0.87 HPGD (0.72) HPGDALDH1A1KDM4EMT-CO2HSD17B10
SCHEMBL18816639 0.85 MT-CO2 (0.55) HPGDALDH1A1KDM4EMT-CO2MAPK1
SCHEMBL28598299 0.85 MAPK1 (0.78) HPGDALDH1A1KDM4EMT-CO2HSD17B10
SCHEMBL16802540 0.82 HPGD (0.58) HPGDALDH1A1KDM4EMT-CO2HSD17B10
SCHEMBL7611210 0.81 ALDH1A1 (0.72) HPGDALDH1A1KDM4EMT-CO2HSD17B10
SCHEMBL7823453 0.79 APEX1 (0.84) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL28612181 0.79 USP2 (0.65) HPGDALDH1A1MAPK1KMT2AGAA
SCHEMBL22972336 0.79 MAPK1 (0.50) HPGDALDH1A1KDM4EMT-CO2HSD17B10
SCHEMBL4155532 0.78 KMT2A (0.50) HPGDALDH1A1KDM4EMT-CO2HSD17B10
SCHEMBL28730014 0.78 HPGD (1.00) HPGDALDH1A1KDM4EHSD17B10MAPK1

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-116529235-A Fungicidal aryl amidines 科迪华农业科技有限责任公司 2023-08-01 — — CN disclosed
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