SCHEMBL24742449

SCHEMBL24742449

N=C(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.53
▸ GGPS1 O95749 1/20 0.41
▸ PRKDC P78527 4/20 0.38
▸ F2 P00734 2/20 0.38
▸ PLG P00747 2/20 0.38
▸ PLAU P00749 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ KLK1 P06870 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL22146813 0.85 ALOX5 (0.53) ALOX5GGPS1PRKDCCYP2C19HDAC8
SCHEMBL17167457 0.83 ALOX5 (0.58) ALOX5GGPS1PRKDCCYP1A2CYP2C9
SCHEMBL18086162 0.82 ALOX5 (0.66) ALOX5GGPS1PRKDCCYP1A2CYP2C9
SCHEMBL25118713 0.81 ALOX5 (0.64) ALOX5GGPS1PRKDCCYP1A2CYP2C9
SCHEMBL21563829 0.81 ALOX5 (0.63) ALOX5GGPS1PRKDCHDAC8PIK3CD
SCHEMBL23384903 0.79 ALOX5 (0.51) ALOX5GGPS1PRKDCCYP1A2CYP2C9
SCHEMBL125685 0.79 ALOX5 (0.55) ALOX5GGPS1PRKDCCYP1A2CYP2C9
SCHEMBL16582776 0.79 ALOX5 (0.57) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL18086152 0.79 ALOX5 (0.61) ALOX5GGPS1PRKDCCYP1A2CYP2C9
SCHEMBL25118732 0.78 ALOX5 (0.64) ALOX5GGPS1PRKDCHDAC8PIK3CD

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-2022255606-A1 COMPOUND FOR QUANTUM DOT LIGHT EMITTING ELEMENT, QUANTUM DOT LIGHT EMITTING ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2022-12-08 — — WO disclosed
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