SCHEMBL11758703

SCHEMBL11758703

O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ PHGDH O43175 1/20 0.54
▸ RAB9A P51151 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ KCNMA1 Q12791 1/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ CXCR1 P25024 1/20 0.49
▸ CXCR2 P25025 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CASP7 P55210 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
SCHEMBL11758088 1.00 KMT2A (0.58) KMT2AMEN1PHGDHRAB9AGAA
SCHEMBL1509271 1.00 KMT2A (0.58) KMT2AMEN1PHGDHRAB9AGAA
Quinoline SCHEMBL11096417 0.86 NPC1 (0.51) KMT2AMEN1PHGDHRAB9AGAA
Isoquinoline SCHEMBL10997368 0.86 NPC1 (0.46) KMT2AMEN1PHGDHRAB9AGAA
Cadaverine Tartrate SCHEMBL28015425 0.82 CYP1A2 (0.56) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL11332310 0.80 KMT2A (0.73) KMT2AMEN1PHGDHRAB9AGAA
SCHEMBL4729142 0.80 KMT2A (0.63) KMT2AMEN1PHGDHRAB9AGAA
SCHEMBL13390947 0.80 KMT2A (0.63) KMT2AMEN1PHGDHRAB9AGAA
SCHEMBL175272 0.79 MEN1 (0.71) KMT2AMEN1PHGDHRAB9AGAA
SCHEMBL113558 0.79 MEN1 (0.71) KMT2AMEN1PHGDHRAB9AGAA

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
US-4024082-A DL-N-CYCLOPROPYLMETHYL-3-HYDROXY-9-AZAMORPHINAN BRISTOL-MYERS COMPANY (US) 1977-05-17 — — US claimed
US-4024082-A DL-N-CYCLOPROPYLMETHYL-3-HYDROXY-9-AZAMORPHINAN BRISTOL-MYERS COMPANY (US) 1977-05-17 — — US disclosed
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