SCHEMBL30290908

SCHEMBL30290908

CC(=O)Nc1cc(C)c(C(=O)c2ccccc2Br)cc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
RAB9A P51151 3/20 0.43
CYP2C19 P33261 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL30290907 0.87 MAPK13 (0.55) ALDH1A1HPGDKMT2ANPC1MAPT
SCHEMBL23361527 0.87 MAPK13 (0.55) ALDH1A1HPGDKMT2ANPC1MAPT
SCHEMBL20563144 0.79 MAPT (0.47) ALDH1A1HPGDKMT2ANPC1MAPT
SCHEMBL23926294 0.76 KMT2A (0.50) ALDH1A1HPGDKMT2ANPC1MAPT
SCHEMBL11008899 0.75 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AMAPTHTT
SCHEMBL4259162 0.74 ALDH1A1 (0.47) ALDH1A1HPGDKMT2ANPC1MAPT
SCHEMBL1541823 0.74 ALDH1A1 (0.47) ALDH1A1HPGDKMT2ARXFP1NPC1
SCHEMBL30526799 0.74 ALDH1A1 (0.47) ALDH1A1HPGDKMT2ARXFP1NPC1
SCHEMBL29819513 0.74 ALDH1A1 (0.58) ALDH1A1HPGDKMT2ANPC1MAPT
SCHEMBL23926254 0.74 KMT2A (0.55) ALDH1A1HPGDKMT2ANPC1MAPT

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