SCHEMBL8316504

SCHEMBL8316504

O=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.61
CTSL P07711 5/20 0.61
POLB P06746 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
FOLH1 Q04609 1/20 0.51
CYP19A1 P11511 1/20 0.49
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.47
MCL1 Q07820 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL19035902 0.95 CTSV (0.57) CTSVCTSLPOLBL3MBTL1SENP8
SCHEMBL873861 0.94 CTSV (0.60) CTSVCTSLSENP8SENP7SENP6
SCHEMBL159283 0.94 CTSV (0.60) CTSVCTSLSENP8SENP7SENP6
SCHEMBL28257932 0.93 CTSV (0.63) CTSVCTSLPOLBL3MBTL1SENP8
SCHEMBL4222265 0.91 CTSV (0.58) CTSVCTSLPOLBL3MBTL1SENP8
SCHEMBL27654714 0.91 CTSV (0.58) CTSVCTSLPOLBL3MBTL1SENP8
SCHEMBL31151917 0.90 CTSV (0.53) CTSVCTSLPOLBL3MBTL1SENP8
SCHEMBL582235 0.89 CTSV (0.60) CTSVCTSLPOLBL3MBTL1SENP8
SCHEMBL31235825 0.89 CTSV (0.60) CTSVCTSLPOLBL3MBTL1SENP8
SCHEMBL31151927 0.89 CTSV (0.52) CTSVCTSLPOLBL3MBTL1SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484881-B1 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics SQUIBB & SONS INC (US) 1999-04-07 EP disclosed
US-5705645-A Hereroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1998-01-06 US disclosed
US-5420277-A BACTERICIDE INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1995-05-30 US disclosed
US-5290929-A Heteroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-03-01 US disclosed
EP-0484881-A2 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1992-05-13 EP disclosed