SCHEMBL11279636

SCHEMBL11279636

COC(=O)C(C)N(C(=O)CSC(=O)c1ccccc1)c1c(C)ccc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 3/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
GPR139 Q6DWJ6 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ESRRB O95718 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL11279640 1.00 KMT2A (0.50) KMT2AMEN1HTTNPSR1PLA2G1B
SCHEMBL11283640 0.91 KMT2A (0.47) KMT2AMEN1HTTNPSR1PLA2G1B
SCHEMBL11283643 0.91 KMT2A (0.47) KMT2AMEN1HTTNPSR1PLA2G1B
SCHEMBL11272263 0.91 KMT2A (0.47) KMT2AMEN1HTTNPSR1PLA2G1B
SCHEMBL11272261 0.91 KMT2A (0.47) KMT2AMEN1HTTNPSR1PLA2G1B
SCHEMBL11272608 0.86 NPSR1 (0.43) KMT2AMEN1HTTNPSR1PLA2G1B
SCHEMBL11272605 0.86 NPSR1 (0.43) KMT2AMEN1HTTNPSR1PLA2G1B
SCHEMBL11271601 0.85 NPSR1 (0.44) KMT2AMEN1HTTNPSR1PLA2G1B
SCHEMBL11271599 0.85 NPSR1 (0.44) KMT2AMEN1HTTNPSR1PLA2G1B
SCHEMBL11273710 0.84 NPSR1 (0.39) KMT2AMEN1HTTNPSR1PLA2G1B

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
US-4313957-A Pesticidal sulfur containing amides derived from aniline and the method of preparation thereof RHONE-POULENC AGROCHIMIE (FR) 1982-02-02 US disclosed