SCHEMBL15731019

SCHEMBL15731019

c1ccc(-c2ccc(N(c3cc4ccc5cccc6ccc(c3)c4c56)c3cc4ccc5cccc6ccc(c3)c4c56)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 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
SCHEMBL16271365 1.00 CYP1A2 (0.41) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL6844368 0.98 CYP1A2 (0.39) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL75571 0.96 ALDH1A1 (0.41) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL16271321 0.96 ALDH1A1 (0.41) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL16271343 0.95 CYP1A2 (0.37) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL16271323 0.93 CYP1A2 (0.36) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL15731038 0.93 CYP1A2 (0.38) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL15731043 0.93 CYP1A2 (0.38) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL17816331 0.93 CYP1A2 (0.41) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL13304314 0.92 ALDH1A1 (0.43) CYP1A2ALDH1A1CYP3A4MEN1KMT2A

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