SCHEMBL30290907

SCHEMBL30290907

CC(=O)Nc1cc(C)c(C(=O)c2ccccc2C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.55
MAPK12 P53778 7/20 0.55
MAPK11 Q15759 7/20 0.55
MAPK14 Q16539 7/20 0.55
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.48
NPC1 O15118 3/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 2/20 0.46
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL23361527 1.00 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL30290908 0.87 ALDH1A1 (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23926294 0.79 KMT2A (0.50) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL4259162 0.78 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2KMT2APOLB
SCHEMBL29819513 0.77 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2KMT2APOLB
SCHEMBL23926254 0.77 KMT2A (0.55) ALDH1A1HPGDSMN1; SMN2KMT2APOLB
SCHEMBL20563144 0.77 MAPT (0.47) ALDH1A1HPGDKMT2ANPC1MAPT
SCHEMBL14544546 0.77 KMT2A (0.58) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL4258095 0.76 KDM4E (0.50) ALDH1A1HPGDSMN1; SMN2KMT2APOLB
SCHEMBL333141 0.75 CYP3A4 (0.55) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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
WO-2023047285-A1 A PROCESS FOR PREPARING PHENYLAMIDINE COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LIMITED (IN) 2023-03-30 WO disclosed