SCHEMBL10923317

SCHEMBL10923317

COC(=O)Oc1c(C)nc2c(c1-c1ccccc1[N+](=O)[O-])C(=O)OC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10914742 0.88 HRH2 (0.34) ALDH1A1MAPTTP53MAOBMEN1
SCHEMBL6959645 0.84 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1TP53NPC1
SCHEMBL11006059 0.84 SMN1; SMN2 (0.39) ALDH1A1MAPTNPSR1TP53NPC1
SCHEMBL10921450 0.80 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2APDE4B
SCHEMBL10748490 0.76 TDP2 (0.38) ALDH1A1MAPTNPSR1TP53NPC1
SCHEMBL10911579 0.76 ALDH1A1 (0.39) ALDH1A1MAPTNPSR1TP53NPC1
SCHEMBL10913091 0.73 MAPT (0.43) ALDH1A1MAPTNPSR1NPC1RAB9A
SCHEMBL10970619 0.72 ALDH1A1 (0.38) ALDH1A1MAPTMAOBMEN1KMT2A
SCHEMBL6956139 0.72 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10923622 0.71 LDHA (0.39) ALDH1A1KMT2AHPGDCYP1A2CYP2C19

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
EP-0088938-B1 USE OF PYRIDINE COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS WITH AN ANTIHYPOXEMIA AND ISCHEMIA-PROTECTIVE ACTIVITY BAYER AG (DE) 1986-04-30 — — EP disclosed
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