SCHEMBL23601426

SCHEMBL23601426

CN(c1cccc(Br)c1Cl)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 10/20 0.36
PRMT5 O14744 4/20 0.35
CYP1A2 P05177 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL23577423 0.90 MAT2A (0.36) MAT2APRMT5CYP1A2FNTAFNTB
SCHEMBL29909955 0.90 MAT2A (0.36) MAT2APRMT5CYP1A2FNTAFNTB
SCHEMBL23601427 0.82 MAT2A (0.36) MAT2APRMT5CYP1A2FNTAFNTB
SCHEMBL23577196 0.82 PDGFRB (0.38) MAT2APRMT5CYP1A2FNTAFNTB
SCHEMBL29909162 0.82 PDGFRB (0.38) MAT2APRMT5CYP1A2FNTAFNTB
SCHEMBL23601277 0.82 MAT2A (0.36) MAT2APRMT5CYP1A2FNTAFNTB
SCHEMBL29909169 0.81 HRH4 (0.36) MAT2APRMT5CYP1A2FNTAFNTB
SCHEMBL23576913 0.81 HRH4 (0.36) MAT2APRMT5CYP1A2FNTAFNTB
SCHEMBL23577499 0.80 CSF1R (0.44) MAT2APRMT5CYP1A2HRH4
SCHEMBL30961036 0.80 CSF1R (0.44) MAT2APRMT5CYP1A2HRH4

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed