SCHEMBL8310340

SCHEMBL8310340

NCc1ccc(Oc2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ POLB P06746 1/20 0.64
▸ MAPK1 P28482 3/20 0.55
▸ MAOB P27338 3/20 0.52
▸ GAA P10253 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ RAB9A P51151 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LOX P28300 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.46
▸ AOC3 Q16853 1/20 0.44
▸ THRB P10828 1/20 0.44

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
SCHEMBL876135 0.86 ALDH1A1 (0.64) ALDH1A1L3MBTL1POLBMAPK1GAA
SCHEMBL24400591 0.84 L3MBTL1 (0.45) ALDH1A1L3MBTL1POLBMAPK1MAOB
SCHEMBL16592108 0.84 MAPK1 (0.66) ALDH1A1L3MBTL1POLBMAPK1GAA
SCHEMBL27299560 0.82 MAOB (0.50) ALDH1A1L3MBTL1POLBMAPK1MAOB
SCHEMBL6508815 0.82 ALDH1A1 (0.65) ALDH1A1L3MBTL1POLBMAPK1MAOB
SCHEMBL921317 0.81 MAOB (0.61) ALDH1A1L3MBTL1POLBMAOBKDM4E
SCHEMBL24401106 0.80 HPGD (0.51) L3MBTL1POLBMAPK1MAOBRAB9A
Hydrochloric Acid SCHEMBL17136566 0.80 MAOB (0.64) MAOBLOXLOXL2AOC3
SCHEMBL876853 0.78 L3MBTL1 (1.00) ALDH1A1L3MBTL1POLBMAPK1GAA
SCHEMBL920369 0.78 MAOB (0.57) ALDH1A1L3MBTL1POLBMAOBLOX

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
EP-0891975-A1 PYRAZOLES AND AGRICULTURAL CHEMICALS CONTAINING THEM AS ACTIVE INGREDIENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1999-01-20 — — EP disclosed
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