SCHEMBL10627638

SCHEMBL10627638

CCCCCCCCCCCCCCCCCCCCNC(NCCCCCCCCCCCCCCCCCCCC)n1nnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP4Z1 Q86W10 9/20 0.60
▸ ASAH1 Q13510 3/20 0.54
▸ SLC9A1 P19634 7/20 0.54
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP4F8 P98187 1/20 0.40
▸ CYP4F12 Q9HCS2 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39

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
SCHEMBL5425745 0.88 CYP4Z1 (0.59) CYP4Z1ASAH1SLC9A1CYP1A2CYP2C8
SCHEMBL5429113 0.88 CYP4Z1 (0.59) CYP4Z1ASAH1SLC9A1CYP1A2CYP2C8
SCHEMBL5418042 0.88 CYP4Z1 (0.59) CYP4Z1ASAH1SLC9A1CYP1A2CYP2C8
SCHEMBL5429039 0.88 CYP4Z1 (0.59) CYP4Z1ASAH1SLC9A1CYP1A2CYP2C8
SCHEMBL5425508 0.88 CYP4Z1 (0.59) CYP4Z1ASAH1SLC9A1CYP1A2CYP2C8
SCHEMBL5428691 0.88 CYP4Z1 (0.59) CYP4Z1ASAH1SLC9A1CYP1A2CYP2C8
SCHEMBL5421144 0.88 CYP4Z1 (0.59) CYP4Z1ASAH1SLC9A1CYP1A2CYP2C8
SCHEMBL5426873 0.86 CYP4Z1 (0.57) CYP4Z1ASAH1SLC9A1KEAP1
SCHEMBL14953620 0.85 CYP4Z1 (0.56) CYP4Z1ASAH1SLC9A1CYP1A2CYP2C8
SCHEMBL5430545 0.82 CYP4Z1 (0.57) CYP4Z1ASAH1SLC9A1KEAP1

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
US-4791206-A METAL PASSIVATING, OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1988-12-13 — — US disclosed
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