SCHEMBL11631007

SCHEMBL11631007

CC(C)OC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ POLB P06746 2/20 0.56
▸ LMNA P02545 1/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ GRK2 P25098 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ ATM Q13315 1/20 0.47

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
SCHEMBL11627645 0.90 ALDH1A1 (0.57) ALDH1A1POLBLMNACA12CA1
SCHEMBL11627098 0.90 ALDH1A1 (0.51) ALDH1A1POLBLMNAKMT2ARAB9A
SCHEMBL11853703 0.82 FLT1 (0.54) ALDH1A1LMNACA12CA1CA2
SCHEMBL11627596 0.79 FLT1 (0.52) ALDH1A1LMNACA1CA2
SCHEMBL11624745 0.79 NLRP3 (0.74) ALDH1A1LMNAKMT2ATSHR
SCHEMBL11630984 0.79 NLRP3 (0.62) ALDH1A1LMNAKMT2ATSHR
SCHEMBL11625380 0.78 MEN1 (0.55) ALDH1A1LMNAKMT2ACA12CA1
SCHEMBL11624959 0.78 NLRP3 (0.60) ALDH1A1LMNAKMT2ATSHR
SCHEMBL13401887 0.76 HTT (0.68) ALDH1A1POLBKMT2ACA12CA1
SCHEMBL11629012 0.76 MAPT (0.61) ALDH1A1POLBLMNAKMT2ACA12

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-4066639-A BENZENE-SULFONYL SEMICARBAZIDES AND PROCESS FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-03 — — US disclosed
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