SCHEMBL23601547

SCHEMBL23601547

N/N=c1/nc(N2CCCc3c(Br)cccc32)c2cc(F)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
DHODH Q02127 3/20 0.34
HTR1A P08908 1/20 0.34
ACHE P22303 5/20 0.32
BCHE P06276 4/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2A Q12879 4/20 0.32
HTR6 P50406 1/20 0.32
JAK2 O60674 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NR2F2 P24468 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL24806337 0.85 RET (0.32) DHODH
SCHEMBL30049517 0.84 ACHE (0.35) HTR2AHTR2CHTR1AACHEBCHE
SCHEMBL24813530 0.84 ACHE (0.35) HTR2AHTR2CHTR1AACHEBCHE
SCHEMBL30013289 0.83 TNKS (0.33)
SCHEMBL29909439 0.83 TNKS (0.33)
SCHEMBL23576931 0.83 TNKS (0.33)
SCHEMBL23601370 0.82 HTR6 (0.33) HTR2AHTR2CHTR1AHTR6JAK2
SCHEMBL24806291 0.80 PTPN11 (0.34) HTR2AHTR2C
SCHEMBL23601543 0.79 ACHE (0.37) ACHEJAK2KDM4E
SCHEMBL24806334 0.77 ACHE (0.31) ACHE

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