SCHEMBL6034058

SCHEMBL6034058

COc1nc2c(OC)cccc2nc1[NH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 8/20 0.61
▸ RAB9A P51151 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ G6PD P11413 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.50
▸ THRB P10828 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ MCHR1 Q99705 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL27689752 0.85 NQO2 (0.69) NQO2RAB9AMAPTPOLBNPC1
SCHEMBL30363708 0.81 NQO2 (0.88) NQO2RAB9AMAPTPOLBNPC1
SCHEMBL3731976 0.81 NQO2 (0.88) NQO2RAB9AMAPTPOLBNPC1
SCHEMBL27897957 0.81 NQO2 (0.62) NQO2RAB9AMAPTPOLBNPC1
SCHEMBL13439501 0.79 NQO2 (0.84) NQO2RAB9AMAPTPOLBNPC1
SCHEMBL1513023 0.76 NQO2 (1.00) NQO2RAB9AMAPTPOLBNPC1
Hydrochloric Acid SCHEMBL28752582 0.74 NQO2 (0.96) NQO2RAB9AMAPTPOLBNPC1
SCHEMBL18387578 0.74 NQO2 (0.69) NQO2RAB9AMAPTPOLBNPC1
Hydrogen Sulfide SCHEMBL28130030 0.74 NQO2 (0.96) NQO2RAB9AMAPTPOLBNPC1
Ammonia Solution, Strong SCHEMBL27633219 0.74 NQO2 (0.96) NQO2RAB9AMAPTPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687642-A2 ANTI-VASCULAR AND ANTI-PROLIFERATION METHODS, THERAPIES, AND COMBINATIONS EMPLOYING SPECIFIC TYROSINE KINASE INHIBITORS CENTELION (FR) 2006-08-09 — — EP disclosed
WO-2005038465-A2 ANTI-VASCULAR AND ANTI-PROLIFERATION METHODS, THERAPIES, AND COMBINATIONS EMPLOYING SPECIFIC TYROSINE KINASE INHIBITORS CENTELION (FR) 2005-04-28 — — WO disclosed
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