SCHEMBL11245946

SCHEMBL11245946

C[S+]([O-])CCCNc1ncc(N)c(O)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 10/20 0.32
FLT3 P36888 8/20 0.32
TYRO3 Q06418 8/20 0.32
GAS6 Q14393 8/20 0.32
AXL P30530 1/20 0.30

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
SCHEMBL10996367 0.81 TLR8 (0.43) MERTKFLT3TYRO3GAS6AXL
SCHEMBL11395149 0.81
SCHEMBL11154337 0.79 NUDT1 (0.44) MERTKFLT3TYRO3GAS6AXL
SCHEMBL10998571 0.78 KMT2A (0.43) MERTKFLT3TYRO3GAS6AXL
SCHEMBL11002056 0.78 KMT2A (0.43) MERTKFLT3TYRO3GAS6AXL
SCHEMBL11432081 0.78 TSHR (0.43) MERTKFLT3TYRO3GAS6
SCHEMBL10998512 0.77 MAPT (0.37) MERTKFLT3TYRO3GAS6AXL
SCHEMBL11236452 0.77 KCNH3 (0.43) MERTKTYRO3GAS6
SCHEMBL11399515 0.76 GAA (0.41) MERTKFLT3TYRO3GAS6AXL
SCHEMBL11240946 0.75 SYK (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0016374-B1 PENICILLINS, THEIR SALTS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1982-03-03 EP disclosed
US-4289775-A BACTERICIDAL ANTIBIOTICS KARL THOMAE GMBH (DE) 1981-09-15 US disclosed
EP-0016374-A1 Penicillins, their salts, process for their preparation and therapeutic agents containing these compounds Dr. Karl Thomae GmbH (DE) 1980-10-01 EP disclosed