SCHEMBL6920960

SCHEMBL6920960

CC(=S)NCC1CN(c2ccc(N3CCN(Cc4cnccn4)CC3)nc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.45
MAOA P21397 3/20 0.39
MAOB P27338 2/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
CALML3 P27482 1/20 0.39
SDHA P31040 1/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ABCB11 O95342 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL6827508 0.92 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6824725 0.92 F10 (0.46) F10
SCHEMBL6828157 0.92 F10 (0.44) F10TNKSPARP1TNKS2RET
SCHEMBL6240315 0.86 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL6235173 0.84 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL6827473 0.82 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL6827476 0.82 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL7255302 0.81 MAOA (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL7255296 0.81 MAOA (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6827550 0.81 POLB (0.44) F10MAOAMAOBLMNAPTGS1

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
WO-2004009587-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO disclosed