SCHEMBL15088965

SCHEMBL15088965

c1ccc(N2c3cccc4c(-c5ccccn5)ccc(c34)-c3ccc4c(c32)c2cc(-c3ccccn3)ccc2n4-c2cccnc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
METAP2 P50579 1/20 0.33
CYP2A6 P11509 1/20 0.33
GRM5 P41594 2/20 0.32
MAPK14 Q16539 1/20 0.31
MDM2 Q00987 1/20 0.31
PRKCI P41743 1/20 0.30
MAPT P10636 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
SCHEMBL15088937 0.88 GRM5 (0.33) GRM5MAPK14
SCHEMBL15088958 0.86 METAP1 (0.32) MAPK14
SCHEMBL15088967 0.84 GRM5 (0.32) GRM5MAPK14MAPT
SCHEMBL15089163 0.83 CYP1A2 (0.33) CYP1A2METAP2CYP2A6GRM5MAPK14
SCHEMBL15088948 0.83 GRM5 (0.35) GRM5
SCHEMBL15088938 0.83 TSHR (0.32) GRM5MAPT
SCHEMBL15089071 0.82 CNR2 (0.36) GRM5MAPT
SCHEMBL15089176 0.82 GRM5 (0.35) CYP1A2METAP2CYP2A6GRM5MAPK14
SCHEMBL15088968 0.81 MAPK14 (0.34) MAPK14
SCHEMBL15089402 0.81 HTT (0.37) CYP2A6GRM5MAPK14MAPT

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