SCHEMBL17413634

SCHEMBL17413634

c1ccc2c(c1)ncc1ccc3c(c12)CCCCCCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
GPR3 P46089 1/20 0.43
BCHE P06276 6/20 0.41
ACHE P22303 5/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
ABCC4 O15439 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL17413693 1.00 KDM4E (0.43) KDM4EGPR3BCHEACHEHTR3E
SCHEMBL17413681 0.82 KDM4E (0.43) KDM4EGPR3BCHEACHEHTR3E
SCHEMBL17413694 0.82 KDM4E (0.43) KDM4EGPR3BCHEACHEHTR3E
Phenanthridine SCHEMBL27966445 0.78 KDM4E (0.56) KDM4EGPR3BCHEACHEHTR3E
SCHEMBL17409929 0.78 KIF11 (0.43) KDM4EGPR3BCHEACHEHTR3E
SCHEMBL29941754 0.75 KIF11 (0.45) KDM4EACHEALDH1A1TSHRHSD17B10
SCHEMBL9155402 0.75 KDM4E (0.44) KDM4EGPR3BCHEACHEHTR3E
SCHEMBL28753848 0.71 KIF11 (0.47) KDM4EBCHEACHEALDH1A1TSHR
SCHEMBL159417 0.71 KDM4E (0.63) KDM4EGPR3ALDH1A1TSHRHSD17B10
SCHEMBL17409892 0.71 KIF11 (0.42) KDM4EGPR3BCHEACHEHTR3E

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-20160005980-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-07 US disclosed