SCHEMBL15731012

SCHEMBL15731012

c1ccc(N(c2cc3ccc4cccc5ccc(c2)c3c45)c2cc3ccc4cccc5ccc(c2)c3c45)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
CYP1A2 P05177 5/20 0.48
HSD17B10 Q99714 5/20 0.48
CYP3A4 P08684 5/20 0.48
TSHR P16473 5/20 0.48
HPGD P15428 4/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1B1 Q16678 2/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ERBB2 P04626 1/20 0.45
FYN P06241 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
AHR P35869 1/20 0.45
TDP1 Q9NUW8 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL20243314 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL14069630 0.98 ALDH1A1 (0.46) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL16271372 0.96 ALDH1A1 (0.44) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL16271403 0.94 ALDH1A1 (0.42) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL13250558 0.93 ALDH1A1 (0.46) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL75571 0.92 ALDH1A1 (0.41) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL16271321 0.92 ALDH1A1 (0.41) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL14069731 0.91 ALDH1A1 (0.50) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
Pyrene SCHEMBL28096154 0.91 ALDH1A1 (0.58) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL16271335 0.91 ALDH1A1 (0.39) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR

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