SCHEMBL23601018

SCHEMBL23601018

Cc1cccc2c1OCCCN2c1nc2nncn2c2ccc(F)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ESR1 P03372 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
MAP3K5 Q99683 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
STAT3 P40763 1/20 0.32
PIK3CD O00329 1/20 0.31
GAA P10253 1/20 0.31
CHRM4 P08173 1/20 0.30

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
SCHEMBL23601746 0.95 MAPT (0.38) MAPTPOLBHPGDHSD17B10ESR1
SCHEMBL23601255 0.86 MAPT (0.39) MAPTPOLBHPGDHSD17B10ESR1
SCHEMBL23601478 0.86 MAPT (0.42) MAPTPOLBHPGDHSD17B10ESR1
SCHEMBL23601474 0.85 MAPT (0.41) MAPTPOLBHPGDHSD17B10ESR1
SCHEMBL23577143 0.85 MAPT (0.32) MAPTSMN1; SMN2
SCHEMBL23601372 0.85 SMN1; SMN2 (0.33) MAPTSMN1; SMN2
SCHEMBL23601017 0.84 MAPT (0.34) MAPTKDM4EPIK3CD
SCHEMBL23578223 0.83 MAPT (0.33) MAPTSMN1; SMN2
SCHEMBL23601538 0.83 SMN1; SMN2 (0.33) MAPTSMN1; SMN2
SCHEMBL23601025 0.80 HPGD (0.44) MAPTPOLBHPGDHSD17B10ESR1

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