SCHEMBL9424928

SCHEMBL9424928

O=C(O)c1cn(O)c2cc(O)c(O)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CAPN1 P07384 1/20 0.39
SRC P12931 2/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL17359582 0.87 ALDH1A1 (0.42) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9321255 0.81 LMNA (0.51) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9318828 0.78 KDM4E (0.65) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14845162 0.76 KDM4E (0.57) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9453128 0.76 ALDH1A1 (0.36) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9319323 0.75 ALDH1A1 (0.46) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6313804 0.75 LMNA (0.62) LMNAKDM4EALDH1A1
SCHEMBL9318038 0.74 KMT2A (0.52) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9320881 0.73 ALDH1A1 (0.50) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11752291 0.73 KDM4E (0.47) LMNAKDM4EALDH1A1HPGDHSD17B10

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-5318963-A Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-06-07 US disclosed
EP-0420069-A2 Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1991-04-03 EP disclosed