SCHEMBL26058996

SCHEMBL26058996

Nc1nc2ncc(CNc3ccc(C(=O)CNC(CCC(=O)ON4C(=O)CCC4=O)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
AKR1B1 P15121 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
PTGS2 P35354 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ADORA3 P0DMS8 1/20 0.45
DHFR P00374 9/20 0.41
GART P22102 1/20 0.41
ATIC P31939 1/20 0.41
NOS1 P29475 3/20 0.41
SLC19A1 P41440 2/20 0.38

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
SCHEMBL15040289 0.91 TYMS (0.59) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL434591 0.90 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL13658559 0.90 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL29853494 0.90 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL20247992 0.89 TYMS (0.57) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL14947039 0.86 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL20386936 0.83 TYMS (0.61) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL14264584 0.83 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL22302454 0.82 AKR1B1 (0.57) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL17321175 0.82 AKR1B1 (0.57) TYMSKDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3151919-B1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2023-08-30 EP disclosed