SCHEMBL21392754

SCHEMBL21392754

CSc1ncc(C)cc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
RAB9A P51151 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
IDO1 P14902 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
SCHEMBL20708117 0.83 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS1
SCHEMBL23073347 0.80 AGBL2 (0.32)
SCHEMBL22304215 0.78 SMN1; SMN2 (0.33) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21711156 0.77 NOS3 (0.48) CCR1CCR5CCR8NOS3NOS1
SCHEMBL15052654 0.77 HTT (0.34) SMN1; SMN2RAB9A
SCHEMBL30493454 0.72
SCHEMBL4137228 0.72
SCHEMBL9252734 0.72
SCHEMBL19725192 0.71 HCAR2 (0.43) CYP1A2RAB9A
SCHEMBL18914210 0.70

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-2019180631-A1 SUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS PRMT5 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-09-26 WO disclosed