SCHEMBL11848500

SCHEMBL11848500

NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Nc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ MAPT P10636 7/20 0.46
▸ POLB P06746 3/20 0.45
▸ CA2 P00918 1/20 0.44
▸ HCAR3 P49019 1/20 0.44
▸ AKR1C3 P42330 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 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
SCHEMBL2883308 0.89 HCAR3 (0.55) KMT2AMEN1MAPTPOLBCA2
SCHEMBL11849602 0.86 MAPT (0.51) KMT2AMEN1MAPTHCAR3AKR1C3
SCHEMBL11836594 0.84 KMT2A (0.46) KMT2AMEN1MAPTPOLBHCAR3
SCHEMBL11849870 0.83 KMT2A (0.45) KMT2AMEN1MAPTPOLBHCAR3
SCHEMBL11843965 0.83 MAPT (0.51) KMT2AMEN1MAPTPOLBHCAR3
SCHEMBL11841970 0.83 AKR1C3 (0.45) KMT2AMEN1MAPTCA2AKR1C3
SCHEMBL11839665 0.83 MAPT (0.52) KMT2AMEN1MAPTPOLBHCAR3
SCHEMBL11840178 0.83 MAPT (0.60) KMT2AMEN1MAPTAKR1C3ALDH1A1
SCHEMBL11847173 0.82 MAPT (0.62) KMT2AMEN1MAPTCA2AKR1C3
SCHEMBL11783509 0.81 MAPT (0.60) KMT2AMEN1MAPTPOLBCA2

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-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
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