SCHEMBL23845626

SCHEMBL23845626

CSc1cnc(NN)cc1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 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
SCHEMBL25522404 0.78 ABL1 (0.33) NNMT
SCHEMBL3620179 0.77 NOS3 (0.50) NNMTALDH1A1KDM4EBRD4MAPT
SCHEMBL23845497 0.75 PDGFRB (0.37) NNMTALDH1A1KDM4EMAPT
SCHEMBL23845561 0.74 NNMT (0.33) NNMTALDH1A1
SCHEMBL4751919 0.72 NNMT (0.37) NNMTALDH1A1KDM4EBRD4MAPT
SCHEMBL20772266 0.72 NNMT (0.37) NNMTALDH1A1KDM4EBRD4MAPT
SCHEMBL24099889 0.72 ALDH1A1 (0.42) NNMTALDH1A1KDM4EBRD4MAPT
SCHEMBL20772252 0.72 NNMT (0.37) NNMTALDH1A1KDM4EBRD4MAPT
SCHEMBL30094598 0.69 ALDH1A1 (0.36) ALDH1A1GRM5MAPT
SCHEMBL23833648 0.69 ALDH1A1 (0.36) ALDH1A1GRM5MAPT

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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