SCHEMBL15089096

SCHEMBL15089096

CC1(C)c2ccccc2-c2cc3c(cc21)N(c1cccnc1)c1ccc(-c2ccccn2)c2cccc-3c12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
HTR2C P28335 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 2/20 0.31
CDK8 P49336 1/20 0.31
BRD4 O60885 1/20 0.30
PDK2 Q15119 1/20 0.30
PGR P06401 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
SCHEMBL15088999 0.90 HTR2C (0.33) HTR2CBRD4PDK2
SCHEMBL15088997 0.88 CYP11B2 (0.35) HTTCYP11B2CYP11B1GAAMAPT
SCHEMBL15089044 0.88 CDK8 (0.32) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15088998 0.86 MEN1 (0.38) HTTHTR2CGAAMAPTBRD4
SCHEMBL15089007 0.82 HSD17B10 (0.44) HTTCYP11B2CYP11B1GAAMAPT
SCHEMBL15088987 0.81 HTR2C (0.33) HTR2CPDK2
SCHEMBL15089047 0.78 MAPT (0.34) HTTGAAMAPTMAPK1HSD17B10
SCHEMBL15088986 0.78 PGR (0.37) HTTMAPTPGR
SCHEMBL15089220 0.78 PDK2 (0.30) CDK8PDK2
SCHEMBL15089008 0.77 PDK2 (0.35) HTTMAPTPDK2

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-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed