SCHEMBL11273706

SCHEMBL11273706

COC(=O)C(C)N(C(=O)CSC(=O)c1ccco1)c1c(C)ccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
APOBEC3A P31941 1/20 0.35
ESR2 Q92731 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TP53 P04637 2/20 0.35
ATM Q13315 1/20 0.35
PKM P14618 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
SCHEMBL11273710 1.00 NPSR1 (0.39) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11267084 0.92 KMT2A (0.36) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11279231 0.92 NPSR1 (0.36) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11279228 0.92 NPSR1 (0.36) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11267088 0.92 KMT2A (0.36) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11279636 0.84 KMT2A (0.50) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11279640 0.84 KMT2A (0.50) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11272605 0.81 NPSR1 (0.43) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11272608 0.81 NPSR1 (0.43) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11500869 0.81 KMT2A (0.35) MEN1HTTKMT2ANPC1RAB9A

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