SCHEMBL15909753

SCHEMBL15909753

Cc1cc2ccc3cc(N(c4ccccc4)c4ccc(C#N)cc4)cc4ccc(c1)c2c34

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GFER P55789 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15909741 0.88 KDM4E (0.40) ALDH1A1TSHRABCG2CRHBPCRHR2
SCHEMBL20243301 0.85 MYC (0.39) TSHRABCG2CRHBPCRHR2PTGDR2
SCHEMBL15731011 0.83 KDM4E (0.43) ALDH1A1CYP2A6TSHRMAOAMAPT
SCHEMBL15726523 0.81 CYP2A6 (0.47) ALDH1A1CYP2A6MAPTKMT2AKDM4E
SCHEMBL16271362 0.81 ALDH1A1 (0.40) ALDH1A1CYP2A6ABCG2GFERKDM4E
SCHEMBL15909735 0.81 GABRA1 (0.40) TSHRABCG2PTGDR2KDM4ETDP1
SCHEMBL15678273 0.81 ALDH1A1 (0.37) ALDH1A1CYP2A6KDM4ELMNASMN1; SMN2
SCHEMBL13304329 0.81 MAPT (0.42) ALDH1A1CYP2A6TSHRCRHBPCRHR2
SCHEMBL13304308 0.81 L3MBTL1 (0.42) ALDH1A1CYP2A6TSHRCRHBPCRHR2
SCHEMBL15909783 0.79 HRH3 (0.43) ABCG2PTGDR2KDM4ELMNASMN1; SMN2

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-9997713-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-12 US disclosed
US-9997713-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-12 US disclosed
US-20140209875-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209875-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed