SCHEMBL29684492

SCHEMBL29684492

Clc1cc(Oc2ccccc2)c2c(c1)oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ RHEB Q15382 5/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNA3 P22001 1/20 0.37

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
SCHEMBL9854547 0.89 AHR (0.43) AHRL3MBTL1NPC1POLBRAB9A
SCHEMBL24566937 0.82 MEN1 (0.46) L3MBTL1NPC1POLBRAB9ACYP1A2
SCHEMBL24566597 0.82 GAA (0.50) L3MBTL1NPC1POLBRAB9AMAOA
SCHEMBL24399894 0.80 L3MBTL1 (0.36) AHRL3MBTL1NPC1POLBRAB9A
SCHEMBL24567081 0.78 RAB9A (0.43) L3MBTL1NPC1POLBRAB9ACYP1A2
SCHEMBL31488273 0.77 AHR (0.70) AHRNPC1RAB9ACYP3A4MAOA
SCHEMBL6389676 0.77 AHR (0.70) AHRNPC1RAB9ACYP3A4MAOA
SCHEMBL21583493 0.75 AHR (0.41) AHRNPC1CYP1A2CYP2C19CYP3A4
SCHEMBL21583449 0.73 AHR (0.51) AHRNPC1RAB9ACYP3A4KMT2A
SCHEMBL22112397 0.72 AHR (0.55) AHRNPC1RAB9ACYP3A4MAOA

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
CN-114665032-A Light emitting device 三星显示有限公司 2022-06-24 — — CN disclosed
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