SCHEMBL10144374

SCHEMBL10144374

Cc1cccc(CCCc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
KCNH2 Q12809 2/20 0.57
GRM5 P41594 2/20 0.54
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
DHFR P00374 2/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CYP2D6 P10635 1/20 0.43
LMNA P02545 1/20 0.43
HTR2A P28223 1/20 0.42

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
SCHEMBL1563917 0.89 KCNH2 (0.73) SMN1; SMN2KCNH2GRM5NOS1NOS2
SCHEMBL30173447 0.89 KCNH2 (0.73) SMN1; SMN2KCNH2GRM5NOS1NOS2
SCHEMBL3265299 0.80 SMN1; SMN2 (0.81) SMN1; SMN2GRM5KMT2A
SCHEMBL13384818 0.80 HRH1 (0.51) SMN1; SMN2GRM5ALDH1A1CYP2D6LMNA
SCHEMBL24916774 0.80 CCR1 (0.52) SMN1; SMN2KCNH2GRM5NOS3NOS1
SCHEMBL30201993 0.80 CCR1 (0.52) SMN1; SMN2KCNH2GRM5NOS3NOS1
SCHEMBL681574 0.79 KCNH2 (0.64) SMN1; SMN2KCNH2GRM5NOS3NOS1
SCHEMBL1563589 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KCNH2GRM5POLBKMT2A
SCHEMBL10144469 0.78 KCNH2 (0.54) SMN1; SMN2KCNH2GRM5NOS3NOS1
SCHEMBL14732969 0.77 CCR1 (0.64) SMN1; SMN2KCNH2GRM5NOS3NOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120049167-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20120049167-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed