SCHEMBL10639986

SCHEMBL10639986

O=C(NC(C(=O)O)c1cccs1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
TGM2 P21980 1/20 0.48
ATM Q13315 1/20 0.46
CTSL P07711 5/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10967103 0.91 RAB9A (0.51) RAB9ATGM2CTSLHDAC1HDAC2
SCHEMBL10967107 0.90 RAB9A (0.50) RAB9ATGM2CTSLMAPTL3MBTL1
SCHEMBL11475132 0.86 ATM (0.53) ATMCTSLHDAC1HDAC2
SCHEMBL10663207 0.85 RAB9A (0.52) RAB9ATGM2CTSL
SCHEMBL11623831 0.84 ATM (0.52) RAB9ATGM2ATMCTSLMAPT
SCHEMBL11066063 0.82 ATM (0.66) RAB9ATGM2ATMCTSLHDAC1
SCHEMBL11514580 0.82 ATM (0.66) RAB9ATGM2ATMCTSLHDAC1
SCHEMBL11518512 0.82 ATM (0.69) RAB9AATMCTSL
SCHEMBL11514360 0.79 RAB9A (0.51) RAB9AMAPTL3MBTL1
SCHEMBL11692430 0.79 ATM (0.49) RAB9ATGM2ATMCTSLHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071395-B1 BETA-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1988-08-10 EP disclosed
US-4609652-A FORMAMIDYL DERIVATIVES OF AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1986-09-02 US disclosed
US-4539149-A β-Lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1985-09-03 US disclosed
EP-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 EP disclosed