SCHEMBL9589244

SCHEMBL9589244

Clc1cc(-c2nnn[nH]2)c2nc(-c3nnn[nH]3)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.37
▸ CBFB Q13951 1/20 0.37
▸ AMY1A P0DUB6 4/20 0.36
▸ HTT P42858 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ RHEB Q15382 3/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL9588718 0.78 HTT (0.33) DHODHCBFBHTTADORA3ADORA1
SCHEMBL9588734 0.77 CBFB (0.32) DHODHCBFBHTTADORA3ADORA1
SCHEMBL9589276 0.76 AMY1A (0.36) AMY1A
SCHEMBL9588392 0.75 CBFB (0.31) CBFB
SCHEMBL9590371 0.75 MGAM (0.40) DHODHPARP1KDM4EALDH1A1GAA
SCHEMBL9590167 0.74 GPR17 (0.41) DHODH
SCHEMBL9591257 0.73 GRIN1 (0.36) DHODHCBFB
SCHEMBL9589104 0.73 DHODH (0.37) DHODHALDH1A1MAPT
SCHEMBL9588629 0.72 GRIN1 (0.34) DHODH
SCHEMBL9589206 0.72 GRIN2D (0.32) DHODH

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-5216003-A Antihypoxic, antiischemic agents G. D. SEARLE & CO. (US) 1993-06-01 — — US disclosed
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