SCHEMBL11457320

SCHEMBL11457320

Nc1ccc(-c2c([N+](=O)[O-])oc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ TNKS O95271 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 5/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ HNF4A P41235 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 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
SCHEMBL7274704 0.87 MAPT (0.46) LMNATNKSPARP1CSNK2A2CSNK2B
SCHEMBL11457288 0.82 NPC1 (0.45) LMNAMEN1KMT2AMAPTCA1
SCHEMBL11666642 0.82 TNKS (0.51) LMNATNKSPARP1CSNK2A2CSNK2B
SCHEMBL11552764 0.82 MAPT (0.43) LMNATNKSPARP1CSNK2A2CSNK2B
SCHEMBL11457217 0.82 MEN1 (0.46) MEN1KMT2AMAPTCA1CA2
SCHEMBL11547143 0.81 HNF4A (0.44) LMNATNKSPARP1CSNK2A2CSNK2B
SCHEMBL11465464 0.81 TNKS (0.50) TNKSPARP1CSNK2A2CSNK2BCSNK2A1
SCHEMBL10759258 0.81 TNKS (0.40) LMNATNKSPARP1CSNK2A2CSNK2B
SCHEMBL11456591 0.80 TNKS (0.39) LMNATNKSPARP1CSNK2A2CSNK2B
SCHEMBL11573408 0.79 HNF4A (0.49) LMNATNKSPARP1CSNK2A2CSNK2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014562-A1 Pyridazines for use in treating fungal infections, pharmaceutical compositions containing them, and processes for their preparation Pfizer Limited (GB) 1980-08-20 — — EP disclosed
US-4212865-A BACTERICIDES RIKER LABORATORIES, INC. (US) 1980-07-15 — — US disclosed
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