SCHEMBL23601078

SCHEMBL23601078

Cc1cccc2c1CCCN2c1nc2nnc(C)n2c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.39
KDM4E B2RXH2 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PTAFR P25105 1/20 0.33
RET P07949 1/20 0.33
MAPT P10636 2/20 0.31
PER2 O15055 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 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
SCHEMBL23576692 0.92 DHODH (0.36) DHODHKDM4EPTAFRRETMAPT
SCHEMBL29909342 0.92 DHODH (0.36) DHODHKDM4EPTAFRRETMAPT
SCHEMBL30047203 0.91 DHODH (0.36) DHODHKDM4EPTAFRRETMAPT
SCHEMBL23601264 0.89 DHODH (0.36) DHODHPTAFRPER2BCHEACHE
SCHEMBL23601262 0.89 DHODH (0.37) DHODHKDM4ERXRARXRBRXRG
SCHEMBL23601313 0.87 PTAFR (0.33) DHODHPTAFRBCHEACHEGRIN1
SCHEMBL29909933 0.87 STAT3 (0.40) KDM4EPTAFRMAPT
SCHEMBL23576864 0.87 STAT3 (0.40) KDM4EPTAFRMAPT
SCHEMBL23601077 0.85 DHODH (0.33) DHODHKDM4EPTAFRMAPTPER2
SCHEMBL23601964 0.85 DHODH (0.35) DHODHPTAFR

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