SCHEMBL23601746

SCHEMBL23601746

Cc1cccc2c1OCCN2c1nc2nncn2c2ccc(F)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
POLB P06746 1/20 0.38
PIK3CD O00329 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ESR1 P03372 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MAP3K5 Q99683 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
HTR6 P50406 1/20 0.31
CHRM4 P08173 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
SCHEMBL23601018 0.95 MAPT (0.38) MAPTPOLBPIK3CDHPGDHSD17B10
SCHEMBL23601255 0.90 MAPT (0.39) MAPTPOLBPIK3CDHPGDHSD17B10
SCHEMBL23601076 0.84 MAPT (0.39) MAPTPOLBPIK3CDHPGDHSD17B10
SCHEMBL23601478 0.83 MAPT (0.42) MAPTPOLBHPGDHSD17B10ESR1
SCHEMBL23601474 0.82 MAPT (0.41) MAPTPOLBHPGDHSD17B10ESR1
SCHEMBL23577143 0.80 MAPT (0.32) MAPTSMN1; SMN2
SCHEMBL23601372 0.80 SMN1; SMN2 (0.33) MAPTSMN1; SMN2
SCHEMBL24721428 0.80
SCHEMBL23601017 0.79 MAPT (0.34) MAPTPIK3CDKDM4E
SCHEMBL24815248 0.79 AKT1 (0.34) MAPTPOLBHPGDKDM4EALDH1A1

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