SCHEMBL11627645

SCHEMBL11627645

CC(C)OC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.57
▸ POLB P06746 2/20 0.57
▸ LMNA P02545 1/20 0.55
▸ RAB9A P51151 2/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP12 P39900 1/20 0.52
▸ MMP14 P50281 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ CA5A P35218 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL11631007 0.90 ALDH1A1 (0.56) ALDH1A1POLBLMNARAB9AGAA
SCHEMBL11627098 0.89 ALDH1A1 (0.51) ALDH1A1POLBLMNARAB9AMAPT
SCHEMBL11625380 0.85 MEN1 (0.55) ALDH1A1LMNARAB9AMAPTCA1
SCHEMBL9143421 0.81 P4HTM (0.49) ALDH1A1POLBLMNARAB9AMMP2
SCHEMBL11662718 0.81 MMP1 (0.58) ALDH1A1POLBLMNAMMP2MMP9
SCHEMBL9018110 0.80 ALDH1A1 (0.46) ALDH1A1POLBLMNARAB9AMMP2
SCHEMBL11852037 0.78 KMT2A (0.52) ALDH1A1LMNAMMP2MMP9MMP8
SCHEMBL11628245 0.77 ALDH1A1 (0.68) ALDH1A1POLBLMNAGAACA1
SCHEMBL11629012 0.77 MAPT (0.61) ALDH1A1POLBLMNARAB9AMAPT
SCHEMBL19508785 0.76 NPC1 (0.57) ALDH1A1POLBRAB9AMAPTGAA

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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