SCHEMBL17849700

SCHEMBL17849700

CC1(C)c2cccc3ccc4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc5)cc1c4c23

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.34
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
ERBB2 P04626 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
AHR P35869 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
SCHEMBL17849606 1.00 SIGMAR1 (0.34) SIGMAR1LPLLIPGERBB2CYP1A2
SCHEMBL15316878 0.93 SIGMAR1 (0.34) SIGMAR1ERBB2CYP1A2FYNMAOA
SCHEMBL13888793 0.92 SIGMAR1 (0.34) SIGMAR1
SCHEMBL13888802 0.91 SIGMAR1 (0.33) SIGMAR1
SCHEMBL13888792 0.91 SIGMAR1 (0.33) SIGMAR1ERBB2CYP1A2FYNMAOA
SCHEMBL13888803 0.90 LPL (0.34) LPLLIPGCYP1A2
SCHEMBL13888806 0.90 LPL (0.34) LPLLIPGCYP1A2
SCHEMBL17849608 0.90 LPL (0.34) LPLLIPGCYP1A2
SCHEMBL13888804 0.90 LPL (0.34) LPLLIPGCYP1A2
SCHEMBL13888798 0.90 SIGMAR1 (0.32) SIGMAR1

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-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed