SCHEMBL11279654

SCHEMBL11279654

COC(=O)CN(C(=O)CSC(=O)c1cccs1)c1c(C)ccc(Br)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 6/20 0.34
NPC1 O15118 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RORC P51449 1/20 0.33
PKM P14618 1/20 0.33
ADAM17 P78536 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MIF P14174 1/20 0.33
CTNNB1 P35222 1/20 0.32

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
SCHEMBL11278524 0.92 MAPT (0.36) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11299781 0.89 KMT2A (0.35) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11279236 0.88 RORC (0.39) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11271249 0.88 RORC (0.41) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11265319 0.84 KMT2A (0.43) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL11266992 0.82 RAB9A (0.34) RAB9AALDH1A1HPGDHSD17B10
SCHEMBL11265238 0.81 RORC (0.44) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11265235 0.81 RORC (0.44) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11270955 0.80 LMNA (0.35) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11289843 0.80 MAPT (0.38) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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