SCHEMBL15731013

SCHEMBL15731013

c1ccc2c(N(c3cc4ccc5cccc6ccc(c3)c4c56)c3cc4ccc5cccc6ccc(c3)c4c56)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
AHR P35869 1/20 0.48
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
SIGMAR1 Q99720 7/20 0.42
CYP1B1 Q16678 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A1 P04798 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HIF1A Q16665 1/20 0.39
HPRT1 P00492 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL16271352 0.95 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16271359 0.95 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13304324 0.93 SIGMAR1 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16271332 0.92 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16271377 0.89 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16271324 0.88 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18416084 0.88 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13304346 0.86 SIGMAR1 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16271344 0.86 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL15909736 0.85 CA1 (0.43) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9209407-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-08 US disclosed
US-9209407-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-08 US disclosed
US-20140138632-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT- EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD., A CORPORATION CHARTERED IN AND EXISTING UNDER THE LAWS OF THE REPUBLIC OF KOREA (KR) 2014-05-22 US disclosed
US-20140138632-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT- EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD., A CORPORATION CHARTERED IN AND EXISTING UNDER THE LAWS OF THE REPUBLIC OF KOREA (KR) 2014-05-22 US disclosed