SCHEMBL11265238

SCHEMBL11265238

COC(=O)[C@H](C)N(C(=O)CSC(=O)c1cccs1)c1c(C)ccc(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HPGD P15428 7/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.35
HSD17B10 Q99714 5/20 0.35
MAPK1 P28482 3/20 0.35
ADAM17 P78536 1/20 0.34
ATM Q13315 1/20 0.34
RAB9A P51151 4/20 0.34
CASP1 P29466 3/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL11265235 1.00 RORC (0.44) RORCKMT2AMEN1NPSR1PLA2G1B
SCHEMBL11271114 0.92 RORC (0.47) RORCKMT2AMEN1NPSR1PLA2G1B
SCHEMBL11271116 0.92 RORC (0.47) RORCKMT2AMEN1NPSR1PLA2G1B
SCHEMBL11494781 0.89 RORC (0.40) RORCKMT2AMEN1HTTHPGD
SCHEMBL11283903 0.89 RORC (0.51) RORCKMT2AMEN1NPSR1PLA2G1B
SCHEMBL11283899 0.89 RORC (0.51) RORCKMT2AMEN1NPSR1PLA2G1B
SCHEMBL11272263 0.85 KMT2A (0.47) KMT2AMEN1NPSR1PLA2G1BHTT
SCHEMBL11272261 0.85 KMT2A (0.47) KMT2AMEN1NPSR1PLA2G1BHTT
SCHEMBL11285472 0.83 KMT2A (0.40) RORCKMT2AMEN1NPSR1PLA2G1B
SCHEMBL11285476 0.83 KMT2A (0.40) RORCKMT2AMEN1NPSR1PLA2G1B

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