SCHEMBL11442222

SCHEMBL11442222

O=C(Nc1ccc2c(O)cccc2c1S(=O)(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ KMT2A Q03164 7/20 0.57
▸ MEN1 O00255 6/20 0.57
▸ MAPT P10636 3/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ PABPC1 P11940 1/20 0.54
▸ DUSP3 P51452 1/20 0.54
▸ PTPN5 P54829 1/20 0.54
▸ PTPN11 Q06124 1/20 0.54
▸ EIF4H Q15056 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ POLB P06746 2/20 0.50
▸ GPR35 Q9HC97 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ AKR1C4 P17516 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49

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
SCHEMBL11422937 0.89 NPC1 (0.58) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11760548 0.88 KMT2A (0.56) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11433446 0.86 NPC1 (0.60) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11428763 0.85 NPC1 (0.62) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11423367 0.84 HPGD (0.61) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11433673 0.83 HPGD (0.52) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11431377 0.83 RAB9A (0.62) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11421988 0.83 KMT2A (0.55) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11426141 0.83 KMT2A (0.63) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11440904 0.82 HSD17B10 (0.52) KMT2AMEN1MAPTTDP1CTDSP1

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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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