SCHEMBL23845561

SCHEMBL23845561

CSNc1cnc(NN)cc1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL3620179 0.74 NOS3 (0.50) NNMTALDH1A1
SCHEMBL23845599 0.74 CHRNB2 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL23845626 0.74 NNMT (0.39) NNMTALDH1A1
SCHEMBL23833590 0.72 PIK3CB (0.41) NNMTALDH1A1
SCHEMBL30094536 0.72 PIK3CB (0.41) NNMTALDH1A1
SCHEMBL20772266 0.69 NNMT (0.37) NNMTALDH1A1
SCHEMBL20772252 0.69 NNMT (0.37) NNMTALDH1A1MDM2
SCHEMBL24099889 0.69 ALDH1A1 (0.42) NNMTALDH1A1MDM2
SCHEMBL4751919 0.69 NNMT (0.37) NNMTALDH1A1
SCHEMBL23029357 0.67 NNMT (0.32) NNMT

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-2021188938-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
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