SCHEMBL23601248

SCHEMBL23601248

Cc1cccc(N(CC(F)F)c2nc3nncn3c3ccc(F)c(F)c23)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NOS2 P35228 3/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
POLB P06746 1/20 0.31
NOS1 P29475 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NOS3 P29474 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
SCHEMBL23601460 0.90 TP53 (0.35) TP53ALDH1A1TSHRMAPK1MAPT
SCHEMBL23601471 0.89 MAPT (0.31) MAPTSMN1; SMN2KDM4E
SCHEMBL23601253 0.84 MAPT (0.41) TP53ALDH1A1TSHRMAPK1MAPT
SCHEMBL23601054 0.84 MAPT (0.33) MAPTNOS2
SCHEMBL23601449 0.83
SCHEMBL23576811 0.82
SCHEMBL29909850 0.82
SCHEMBL23601010 0.81 CRY1 (0.33) TP53MAPTSMN1; SMN2CRY1CRY2
SCHEMBL23601237 0.80 MAPT (0.34) MAPTSMN1; SMN2CRY1CRY2POLB
SCHEMBL23576855 0.80

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