SCHEMBL16472863

SCHEMBL16472863

c1cncc(-c2cc3cc4sccc4cc3c3cc4sc5ccccc5c4cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.46
CYP11B2 P19099 6/20 0.38
CYP2A6 P11509 5/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
ALOX5 P09917 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
NAMPT P43490 1/20 0.35
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
P4HTM Q9NXG6 1/20 0.33
CYP2E1 P05181 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL16472915 0.91 CYP11B1 (0.55) CYP11B1CYP11B2CYP2A6NPC1RAB9A
SCHEMBL14725755 0.91 CYP11B1 (0.55) CYP11B1CYP11B2CYP2A6NPC1RAB9A
SCHEMBL14725747 0.85 CYP11B1 (0.48) CYP11B1CYP11B2CYP2A6NPC1RAB9A
SCHEMBL16472889 0.82 CYP11B1 (0.43) CYP11B1CYP11B2CYP2A6NPC1RAB9A
SCHEMBL16472669 0.82 CYP11B1 (0.45) CYP11B1CYP11B2CYP2A6NPC1RAB9A
SCHEMBL16472865 0.82 CYP11B1 (0.45) CYP11B1CYP11B2CYP2A6NPC1RAB9A
SCHEMBL15461859 0.80 ALOX5 (0.36) RAB9AALOX5DYRK1A
SCHEMBL16472832 0.80 CYP11B1 (0.45) CYP11B1CYP11B2CYP2A6NPC1RAB9A
SCHEMBL16472934 0.80 CYP11B1 (0.45) CYP11B1CYP11B2CYP2A6NPC1RAB9A
SCHEMBL16472860 0.79 CYP11B1 (0.40) CYP11B1CYP11B2CYP2A6GPR84ALOX5

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-9118021-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-25 US disclosed
US-9118021-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-25 US disclosed
US-20140103300-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-04-17 US disclosed
US-20140103300-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-04-17 US disclosed