SCHEMBL19656489

SCHEMBL19656489

Clc1cc2ccccc2c2sc3c(Br)cccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ CYP1A2 P05177 5/20 0.38
▸ CYP2A6 P11509 2/20 0.38
▸ CYP1B1 Q16678 5/20 0.35
▸ CYP1A1 P04798 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 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
SCHEMBL22892842 0.84 CYP1A1 (0.37) CYP1A2CYP2A6CYP1B1CYP1A1ALDH1A1
SCHEMBL22892844 0.83 CYP1B1 (0.35) CYP1A2CYP2A6CYP1B1CYP1A1ALDH1A1
SCHEMBL21234342 0.79 ALDH1A1 (0.38) IDO1TDO2CYP1A2CYP1B1CYP1A1
SCHEMBL24295940 0.77 GPR3 (0.41) CYP1A2CYP2A6CYP1B1CYP1A1ALDH1A1
SCHEMBL22892673 0.76 MEN1 (0.37) CYP1A2CYP2A6CYP1B1CYP1A1ALDH1A1
SCHEMBL23144501 0.75 CYP1B1 (0.43) CYP1A2CYP2A6CYP1B1CYP1A1ALDH1A1
SCHEMBL18915103 0.75 CYP1A2 (0.43) CYP1A2CYP2A6CYP1B1ALDH1A1HSD17B10
SCHEMBL17383053 0.75 CYP1B1 (0.46) CYP1A2CYP2A6CYP1B1CYP1A1ALDH1A1
SCHEMBL30760714 0.75 CYP1B1 (0.46) CYP1A2CYP2A6CYP1B1CYP1A1ALDH1A1
SCHEMBL22135465 0.74 CYP1A2 (0.42) IDO1TDO2CYP1A2CYP2A6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021162384-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-19 — — WO disclosed
EP-3466926-B1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO LTD (KR) 2020-10-07 — — EP disclosed
WO-2017204557-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2017-11-30 — — WO disclosed
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