SCHEMBL3836094

SCHEMBL3836094

O=C(COc1ccccc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
KMT2A Q03164 6/20 0.76
MEN1 O00255 5/20 0.76
ALDH1A1 P00352 4/20 0.76
POLB P06746 3/20 0.76
SMN1; SMN2 Q16637 1/20 0.67
LMNA P02545 2/20 0.66
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL12167759 0.95 MAPT (0.73) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL11316237 0.94 MAPT (0.76) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL11318162 0.92 MAPT (0.73) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL31503975 0.86 LMNA (0.78) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL8977175 0.85 ALDH1A1 (0.73) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL8977180 0.85 ALDH1A1 (0.78) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL5418542 0.84 MAPT (0.73) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL3498895 0.83 LMNA (0.78) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL23323321 0.83 MEN1 (0.68) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL11306038 0.83 MAPT (0.57) MAPTKMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718402-B1 Penicillin V amidohydrolase gene from fusarium oxysporum BRISTOL MYERS SQUIBB CO (US) 2009-09-30 EP disclosed
EP-0718402-A2 Penicillin V amidohydrolase gene from fusarium oxysporum BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-26 EP disclosed
US-5516679-A GENETIC ENGINEERING BRISTOL-MYERS SQUIBB COMPANY (US) 1996-05-14 US disclosed