SCHEMBL23930353

SCHEMBL23930353

COc1ccc(Cn2c(=O)[nH]c3cnc(Br)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
GRIN1 Q05586 4/20 0.53
GRIN2B Q13224 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MTOR P42345 1/20 0.47
ENPP1 P22413 1/20 0.45
PDE1B Q01064 3/20 0.45
PNP P00491 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX4 Q99571 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
SCHEMBL18555401 0.81 MEN1 (0.57) MEN1ALDH1A1MAPTKMT2AGRIN1
SCHEMBL29636174 0.79 PDE1B (0.56) MEN1ALDH1A1MAPTKMT2AGRIN1
SCHEMBL20129909 0.79 PDE1B (0.56) MEN1ALDH1A1MAPTKMT2AGRIN1
SCHEMBL18556093 0.77 GRIN1 (0.58) MEN1ALDH1A1MAPTKMT2AGRIN1
SCHEMBL23723051 0.77 PDE1B (0.61) MEN1ALDH1A1MAPTKMT2AGRIN1
SCHEMBL23957490 0.76 CYP1A2 (0.54) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL29691179 0.75 KDM4E (0.54) MEN1ALDH1A1MAPTKMT2AGRIN1
SCHEMBL18865652 0.75 KDM4E (0.54) MEN1ALDH1A1MAPTKMT2AGRIN1
SCHEMBL23392983 0.74 MTOR (0.55) MEN1ALDH1A1MAPTKMT2AGRIN1
SCHEMBL30110559 0.74 MTOR (0.55) MEN1ALDH1A1MAPTKMT2AGRIN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021213929-A1 PESTICIDALLY ACTIVE SUBSTITUTED 1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2021-10-28 WO disclosed
WO-2021213929-A1 PESTICIDALLY ACTIVE SUBSTITUTED 1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2021-10-28 WO disclosed