SCHEMBL11279580

SCHEMBL11279580

O=C(O)NCC#CCS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
ITGAV P06756 1/20 0.34
P2RX7 Q99572 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS2 P35354 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ABCB1 P08183 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
SCHEMBL11267047 0.78 ALDH1A1 (0.48) LMNAMEN1KMT2ACYP3A4MAPT
SCHEMBL11271168 0.71 FABP4 (0.40) ACLY
SCHEMBL11161902 0.65 ALDH1A1 (0.42) L3MBTL1LMNAKMT2ACYP3A4MAPT
SCHEMBL15357967 0.63 NR3C1 (0.38) EPHX2L3MBTL1LMNAMEN1KMT2A
SCHEMBL11266375 0.62 CA1 (0.43) EPHX2L3MBTL1LMNAITGAVMEN1
SCHEMBL11849821 0.61 ABCB1 (0.44) L3MBTL1LMNAITGAVCYP1A2MAPT
SCHEMBL28746009 0.60 CYP2C9 (0.38) EPHX2LMNACYP3A4MAPTCYP2C9
SCHEMBL14677104 0.60 PLG (0.43) LMNAITGAVMEN1KMT2AKDM4E
SCHEMBL3132764 0.60 ALDH1A1 (0.43) LMNAMEN1KMT2ACYP3A4MAPT
SCHEMBL13271939 0.60 CA1 (0.41) LMNACYP3A4PTGS2CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334911-A THIOCARBAMATE AND TRIAZINE MIXTURE WITH N-BENZENE-SULFONYL STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed
US-4168152-A TRIAZINE HERBICIDES WITH N-BENZENESULFONYL CARBAMATES AS HERBICIDE ANTIBOTES STAUFFER CHEMICAL COMPANY (US) 1979-09-18 US disclosed