SCHEMBL19890650

SCHEMBL19890650

Brc1ccc2c(ccc3c4ccccc4n(-c4ccccc4I)c23)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ACHE P22303 2/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ ALKBH5 Q6P6C2 1/20 0.30
▸ FTO Q9C0B1 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 0.30
▸ IDO2 Q6ZQW0 1/20 0.30
▸ DNM1 Q05193 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
SCHEMBL20071442 0.84 CYP2A6 (0.34) CYP2A6MEN1KMT2ARXFP1ALDH1A1
SCHEMBL19890581 0.83 CYP2A6 (0.36) CYP2A6RXFP1DNM1
SCHEMBL20068638 0.82 CYP2A6 (0.39) CYP2A6MEN1KMT2AALDH1A1KDM4E
SCHEMBL20068466 0.82 CYP2A6 (0.39) CYP2A6MEN1KMT2AALDH1A1KDM4E
SCHEMBL21474077 0.81 L3MBTL1 (0.50) CYP2A6MEN1KMT2ARXFP1ALDH1A1
SCHEMBL28842677 0.81 TSPO (0.41) MEN1KMT2AALDH1A1KDM4EATM
SCHEMBL20071701 0.77 CYP2A6 (0.32) CYP2A6MEN1KMT2AALDH1A1
SCHEMBL28306022 0.76 DUSP3 (0.38) ALDH1A1KDM4EATML3MBTL1DUSP3
SCHEMBL19890651 0.76 CYP2A6 (0.42) CYP2A6MEN1KMT2ARXFP1ALDH1A1
SCHEMBL30300783 0.76 ACHE (0.40) CYP2A6MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018034443-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-02-22 — — WO disclosed
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