SCHEMBL13758477

SCHEMBL13758477

CCc1cc(Cc2cc(CC)c(C#N)c(CC)c2)cc(CC)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 8/20 0.36
HPGD P15428 5/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPK1 P28482 1/20 0.34
HSPA5 P11021 1/20 0.33
CYP1A2 P05177 1/20 0.33
SHBG P04278 1/20 0.32

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
SCHEMBL28068652 0.88 CYP2A6 (0.43) CYP2A6KDM4EALDH1A1HPGDMAPT
SCHEMBL24854679 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL28068726 0.83 ALDH1A1 (0.41) CYP2A6KDM4EALDH1A1HPGDMAPT
SCHEMBL28248942 0.83 KDM4E (0.35) CYP2A6KDM4EALDH1A1HPGDMAPT
SCHEMBL28248920 0.79 KDM4E (0.33) CYP2A6KDM4EALDH1A1HPGDMAPT
SCHEMBL2154515 0.79 CYP2A6 (0.43) CYP2A6KDM4EALDH1A1HPGDMAPT
SCHEMBL16883661 0.79 KDM4E (0.41) CYP2A6KDM4EALDH1A1HPGDMAPT
SCHEMBL1427328 0.77 KDM4E (0.36) CYP2A6KDM4EALDH1A1HPGDMAPT
SCHEMBL19774132 0.75 ALDH1A1 (0.39) CYP2A6KDM4EALDH1A1HPGDMAPT
SCHEMBL7034149 0.74 ALDH1A1 (0.37) CYP2A6KDM4EALDH1A1HPGDMAPT

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
US-20090197202-A1 PHOTOSENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-08-06 US disclosed