SCHEMBL28293813

SCHEMBL28293813

CC(=O)Nc1cc(C)c(Cc2ccc(C)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 2/20 0.39
PSMB5 P28074 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL23926291 0.88 KMT2A (0.46) SMN1; SMN2NPC1HPGDALDH1A1KMT2A
SCHEMBL20565744 0.86 ALDH1A1 (0.41) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL28293809 0.84 HSD17B10 (0.46) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL20562750 0.84 HPGD (0.39) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL20565020 0.84 POLB (0.44) SMN1; SMN2HPGDALDH1A1POLBLMNA
SCHEMBL20563417 0.83 POLB (0.41) SMN1; SMN2HPGDALDH1A1POLBLMNA
SCHEMBL30290872 0.82 HPGD (0.53) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL9167530 0.78 L3MBTL1 (0.56) SMN1; SMN2HPGDALDH1A1TDP1KMT2A
SCHEMBL26228594 0.77 MAPT (0.41) SMN1; SMN2NPC1HPGDALDH1A1KMT2A
SCHEMBL21931359 0.77 POLB (0.41) SMN1; SMN2NPC1HPGDALDH1A1KMT2A

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