SCHEMBL17990916

SCHEMBL17990916

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4c5ccccc5ccc64)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.39
▸ CYP1B1 Q16678 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ AKR1C4 P17516 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ AKR1C1 Q04828 1/20 0.30

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
SCHEMBL17990920 0.95 CYP1A1 (0.39) CYP1A1CYP1B1KDM4EATML3MBTL1
SCHEMBL17990849 0.94 CYP1A1 (0.40) CYP1A1CYP1B1KDM4EATML3MBTL1
SCHEMBL17990954 0.91 CYP1A1 (0.38) CYP1A1CYP1B1KDM4EATML3MBTL1
SCHEMBL19636187 0.91 ATM (0.47) CYP1A1CYP1B1KDM4EATML3MBTL1
SCHEMBL17990851 0.90 CYP1A1 (0.40) CYP1A1CYP1B1KDM4EATML3MBTL1
SCHEMBL17990956 0.87 CYP1A1 (0.38) CYP1A1CYP1B1KDM4EATML3MBTL1
SCHEMBL17990899 0.86 KDM4E (0.38) CYP1A1CYP1B1KDM4EATML3MBTL1
SCHEMBL17990915 0.86 L3MBTL1 (0.41) KDM4EATML3MBTL1HDAC4F2
SCHEMBL17990996 0.85 CYP1A1 (0.36) CYP1A1CYP1B1CYP1A2LIMK1
SCHEMBL19319947 0.84 KDM4E (0.35) CYP1A1CYP1B1KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
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