SCHEMBL10805604

SCHEMBL10805604

O=C1c2ccccc2-c2nn(OCc3ccccc3)c3c(OCc4ccccc4)ccc1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAOB P27338 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL10349467 0.80 EIF2AK2 (0.56) MAPK14MAPK13EIF2AK2MAPK12MAPK11
SCHEMBL9175523 0.66 NPC1 (0.53) MAPTNPC1ALDH1A1LMNARAB9A
SCHEMBL14277253 0.64 MAPT (0.50) EIF2AK2MAPK12MAOBMAPTNPC1
SCHEMBL9754264 0.64 KCNA3 (0.63) MAOBMAPTALDH1A1KDM4EHPGD
SCHEMBL13147782 0.64 EIF2AK2 (0.50) MAPK14MAPK13EIF2AK2MAPK12MAPK11
SCHEMBL11714592 0.63 CYP1B1 (0.46) MAPTNPC1ALDH1A1LMNARAB9A
SCHEMBL14357451 0.63 MAPK14 (0.49) MAPK14MAOBMAPTMEN1HTT
SCHEMBL9173435 0.62 KCNA3 (0.56) MAOBMAPTBRD4HTT
Anthraquinone SCHEMBL8469578 0.62 TSHR (0.68) MAPTNPC1ALDH1A1LMNARAB9A
SCHEMBL562544 0.61 TOP1 (0.67) MAOBMAPTNPC1ALDH1A1LMNA

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-0103381-B1 SUBSTITUTED ANTHRA(1,9-CD)PYRAZOL-6(2H)-ONES WARNER-LAMBERT COMPANY (US) 1987-09-23 — — EP disclosed
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