SCHEMBL28293809

SCHEMBL28293809

CC(=O)Nc1cc(C)c(Cc2cccc(C)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
NR3C2 P08235 1/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL26228594 0.84 MAPT (0.41) HSD17B10ALDH1A1HPGDKMT2APOLB
SCHEMBL28293813 0.84 SMN1; SMN2 (0.45) ALDH1A1HPGDKMT2APOLBNPC1
SCHEMBL21931359 0.81 POLB (0.41) ALDH1A1HPGDKMT2APOLBNPC1
SCHEMBL30290872 0.81 HPGD (0.53) ALDH1A1HPGDKMT2APOLBMAOB
SCHEMBL23926291 0.79 KMT2A (0.46) HSD17B10ALDH1A1HPGDKMT2APOLB
SCHEMBL20565744 0.77 ALDH1A1 (0.41) ALDH1A1HPGDKMT2APOLBNPC1
SCHEMBL27201219 0.75 ALDH1A1 (0.50) ALDH1A1HPGDKMT2APOLBMAOB
SCHEMBL20562750 0.75 HPGD (0.39) ALDH1A1HPGDKMT2APOLBNPC1
SCHEMBL20565020 0.75 POLB (0.44) ALDH1A1HPGDPOLBCYP3A4CYP2C19
SCHEMBL20563417 0.74 POLB (0.41) ALDH1A1HPGDPOLBCYP3A4CYP2C19

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-109843056-A 4-substituted phenylamine derivatives and their use for protecting crops against undesired phytopathogenic microorganisms 印度商皮埃企业有限公司 2019-06-04 CN disclosed