SCHEMBL11276435

SCHEMBL11276435

O=C(O)NCC#CS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.41
MMP1 P03956 7/20 0.41
MMP13 P45452 7/20 0.41
MMP9 P14780 6/20 0.41
MMP3 P08254 6/20 0.41
MMP7 P09237 5/20 0.41
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP8 P22894 1/20 0.40
KMT2A Q03164 2/20 0.38
NHERF1 O14745 1/20 0.38
PLCG1 P19174 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL10661936 0.85 MAPT (0.40) MMP2MMP1MMP13MMP9KDM4E
SCHEMBL11161902 0.84 ALDH1A1 (0.42) MMP2MMP1MMP13MMP9EGFR
SCHEMBL11281043 0.84 CA1 (0.40) MMP2MMP1MMP13MMP9TDP1
SCHEMBL11271168 0.75 FABP4 (0.40)
SCHEMBL11279894 0.71 GABRA1 (0.35) POLBTDP1
SCHEMBL11266375 0.70 CA1 (0.43) MMP2MMP1MMP13MMP9POLB
SCHEMBL4351497 0.69 KMT2A (0.61) KDM4EPOLBAPEX1RECQLTDP1
SCHEMBL3412674 0.68 MMP1 (0.58) MMP2MMP1MMP13MMP9MMP3
SCHEMBL11267047 0.67 ALDH1A1 (0.48) KDM4EKMT2AGAA
SCHEMBL28439929 0.66 CA2 (0.51) MMP9EGFRERBB2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4168152-A TRIAZINE HERBICIDES WITH N-BENZENESULFONYL CARBAMATES AS HERBICIDE ANTIBOTES STAUFFER CHEMICAL COMPANY (US) 1979-09-18 US claimed
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