SCHEMBL11271249

SCHEMBL11271249

COC(=O)CN(C(=O)CSC(=O)c1cccs1)c1c(C)cccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
ADAM17 P78536 1/20 0.37
ATM Q13315 1/20 0.37
MIF P14174 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35

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 0.91 MAPT (0.36) RORCCTNNB1WNT3ARAB9ANPC1
SCHEMBL11279236 0.88 RORC (0.39) RORCRAB9ANPC1SMN1; SMN2TP53
SCHEMBL11279654 0.88 KMT2A (0.36) RORCCTNNB1WNT3ARAB9ANPC1
SCHEMBL11291159 0.87 CTNNB1 (0.40) RORCCTNNB1WNT3ARAB9ANPC1
SCHEMBL11276183 0.81 KMT2A (0.48) RAB9ASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL11272346 0.79 ALDH1A1 (0.39) RAB9ASMN1; SMN2TP53MAPTALDH1A1
SCHEMBL11289843 0.79 MAPT (0.38) RORCCTNNB1WNT3ARAB9ANPC1
SCHEMBL11280635 0.78 ALDH1A1 (0.35) RAB9ASMN1; SMN2TP53MAPTALDH1A1
SCHEMBL11279587 0.78 ALDH1A1 (0.35) RAB9ASMN1; SMN2TP53KMT2AMAPT
SCHEMBL11275836 0.78 NPSR1 (0.38) RAB9ASMN1; SMN2TP53KMT2AMAPT

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