SCHEMBL6435085

SCHEMBL6435085

O=C1C([AsH2])Cc2ccccc2N1O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 13/20 0.65
▸ KYAT1 Q16773 2/20 0.65
▸ KYAT3 Q6YP21 2/20 0.65
▸ GOT1 P17174 1/20 0.65
▸ NOTUM Q6P988 5/20 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
SCHEMBL3773423 0.79 AADAT (1.00) AADATKYAT1KYAT3GOT1
SCHEMBL2955903 0.79 AADAT (1.00) AADATKYAT1KYAT3GOT1
SCHEMBL2132616 0.79 AADAT (1.00) AADATKYAT1KYAT3GOT1
SCHEMBL31656272 0.79 AADAT (1.00) AADATKYAT1KYAT3GOT1
Hydrochloric Acid SCHEMBL7421319 0.77 AADAT (0.97) AADATKYAT1KYAT3GOT1
Hydrochloric Acid SCHEMBL5134046 0.77 AADAT (0.97) AADATKYAT1KYAT3GOT1
SCHEMBL10694099 0.76 AADAT (0.61) AADATKYAT1KYAT3GOT1NOTUM
SCHEMBL3785883 0.72 AADAT (0.56) AADATKYAT1KYAT3GOT1
SCHEMBL3195836 0.67 RNASEH1 (0.60) AADATKYAT1KYAT3GOT1NOTUM
SCHEMBL29836002 0.67 RNASEH1 (0.60) AADATKYAT1KYAT3GOT1NOTUM

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
WO-2005102281-A2 POROUS CALCIUM PHOSPHATE NETWORKS FOR SYNTHETIC BONE MATERIAL UNIVERSITY OF MASSACHUSETTS (US) 2005-11-03 — — WO disclosed
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