SCHEMBL23601162

SCHEMBL23601162

Cc1cc(F)cc(-c2cnc(C3CC3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NPY5R Q15761 1/20 0.34
MGLL Q99685 1/20 0.34
KDM1A O60341 2/20 0.33
PDE10A Q9Y233 2/20 0.33
GRM5 P41594 2/20 0.32
PIM1 P11309 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
SSTR2 P30874 1/20 0.30
KCNH2 Q12809 1/20 0.30
IDO1 P14902 1/20 0.30
TNF P01375 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
SCHEMBL24721002 0.82 MAPK1 (0.35) NPY5RKDM1A
SCHEMBL23601694 0.76 KDM1A (0.50) KDM1AIDO1TNF
SCHEMBL15262893 0.74 PTGS1 (0.35) TNF
SCHEMBL23601157 0.74 AURKA (0.42) CYP11B2PDE10APIM1KCNH2
SCHEMBL23601152 0.71 NISCH (0.40) KDM1APDE10APIM1
SCHEMBL2406986 0.70 CYP2D6 (0.41) CYP11B2GRM5PIM1
SCHEMBL21831103 0.69 NOTUM (0.39)
SCHEMBL24721358 0.68 ALOX5AP (0.38) KDM1AKCNH2TNF
SCHEMBL2629282 0.67 DDB1 (0.36)
SCHEMBL30740055 0.67 FEN1 (0.45)

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