SCHEMBL9319282

SCHEMBL9319282

O=C(O)c1nc2cc(O)c(O)cc2nc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PIM1 P11309 5/20 0.41
KDM4E B2RXH2 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PTGS2 P35354 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9319003 0.85 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2PIM1KDM4E
SCHEMBL9319709 0.85 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2PIM1KDM4E
SCHEMBL9871154 0.84 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2PIM1KDM4E
SCHEMBL8658426 0.82 MAPT (0.39) MAPTALDH1A1SMN1; SMN2PIM1KDM4E
SCHEMBL9319239 0.80 PIM1 (0.46) MAPTALDH1A1SMN1; SMN2PIM1POLB
SCHEMBL10391840 0.80 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL9873241 0.79 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2PIM1KDM4E
SCHEMBL8311752 0.76 ALDH1A1 (0.35) MAPTALDH1A1SMN1; SMN2PIM1KDM4E
SCHEMBL9135874 0.75 ALDH1A1 (0.34) MAPTALDH1A1SMN1; SMN2PIM1KDM4E
SCHEMBL9979780 0.74 MAPT (0.46) MAPTALDH1A1KDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342423-A2 Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1989-11-23 EP claimed
US-5371220-A Bicyclo-heterocyclic intermediates for cephalosporin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-06 US disclosed
US-5318963-A Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-06-07 US disclosed
US-5232918-A Bactericides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-03 US disclosed
US-5037983-A 6,7-dihydroxyquinoxalines as intermediates to beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1991-08-06 US disclosed
US-5019570-A Antibioics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 US disclosed
EP-0420069-A2 Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1991-04-03 EP disclosed
US-4904775-A Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1990-02-27 US disclosed
EP-0342423-A2 Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1989-11-23 EP disclosed