SCHEMBL14646296

SCHEMBL14646296

Cc1ccc(N2c3ccc(C)cc3C3CCCC32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL13129270 0.92 HTR6 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2NOS3
SCHEMBL14823080 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2NOS3
SCHEMBL12288765 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL15072127 0.88 NOS3 (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2NOS3
SCHEMBL14646300 0.88 GRIN2D (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2NOS3
SCHEMBL13170530 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL16663883 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL14823470 0.86 HTR6 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2NOS3
SCHEMBL12288806 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL13978943 0.85 KDM4E (0.32) ALDH1A1KDM4EMAPTSMN1; SMN2GAA

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-2013008951-A1 ORGANIC DYE, DYE-SENSITIZED METAL OXIDE SEMICONDUCTOR ELECTRODE AND DYE-SENSITIZED SOLAR CELL NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2013-01-17 WO disclosed