SCHEMBL6924196

SCHEMBL6924196

CC(=S)NCC1CN(c2ccc(C3C=CN(C(=S)c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.46
MAOB P27338 4/20 0.46
PTGS1 P23219 2/20 0.46
SDHA P31040 2/20 0.46
LMNA P02545 1/20 0.46
CALML3 P27482 1/20 0.46
F10 P00742 8/20 0.42

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
SCHEMBL6923358 0.87 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5417830 0.83 MAOB (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5417826 0.83 MAOB (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7255068 0.80 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7255065 0.80 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7062811 0.80 MAOA (0.43) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7067025 0.79 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6924434 0.79 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14448271 0.79 MAOB (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6826876 0.79 SLC2A1 (0.47) MAOAMAOBPTGS1SDHALMNA

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-2004113329-A1 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2004-12-29 WO disclosed