SCHEMBL23601675

SCHEMBL23601675

Cc1cccc(N(CC(F)(F)F)c2nc3nncn3c3cc(Cl)ccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.38
TP53 P04637 6/20 0.37
MAPT P10636 6/20 0.37
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 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
PRMT5 O14744 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL23601234 0.88 SMN1; SMN2 (0.33) MAT2ATP53MAPTFNTAFNTB
SCHEMBL23601777 0.83 TP53 (0.32) MAT2ATP53MAPTFNTAFNTB
SCHEMBL23601772 0.83 MAT2A (0.45) MAT2ATP53MAPTFNTAFNTB
SCHEMBL23577396 0.82 TP53 (0.30) TP53MAPTFNTAFNTB
SCHEMBL23601752 0.81 TP53 (0.32) TP53MAPT
SCHEMBL23576759 0.80
SCHEMBL29909179 0.80
SCHEMBL29909061 0.80 FNTA (0.31) FNTAFNTB
SCHEMBL23577043 0.80 FNTA (0.31) FNTAFNTB
SCHEMBL23577387 0.78 MAT2A (0.36) MAT2ATP53MAPTFNTAFNTB

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