SCHEMBL9843840

SCHEMBL9843840

COC(=O)c1ccccc1CCCS(N)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
CA5A P35218 1/20 0.53
CA9 Q16790 1/20 0.53
TSHR P16473 1/20 0.47
CFTR P13569 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DHODH Q02127 1/20 0.46
HIF1A Q16665 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL9843838 0.91 ALDH1A1 (0.60) ALDH1A1LMNACA2CA1CA5A
SCHEMBL4880583 0.81 CA1 (0.58) ALDH1A1LMNACA2CA1CA5A
SCHEMBL5734169 0.81 ALDH1A1 (0.64) ALDH1A1LMNACA2CA1CA5A
SCHEMBL10360804 0.81 ALDH1A1 (0.77) ALDH1A1LMNACA2CA1CA5A
SCHEMBL28280178 0.80 ALDH1A1 (0.62) ALDH1A1LMNACA2CA1CA5A
SCHEMBL383349 0.80 ALDH1A1 (0.66) ALDH1A1LMNACA2CA1CA5A
SCHEMBL1789262 0.80 ALDH1A1 (0.66) ALDH1A1LMNATSHRCFTRHSD17B10
SCHEMBL3558813 0.79 ALDH1A1 (0.62) ALDH1A1LMNACA2CA1CA5A
SCHEMBL385826 0.78 ALDH1A1 (0.64) ALDH1A1LMNATSHRCFTRHSD17B10
SCHEMBL6621914 0.78 ALDH1A1 (0.64) ALDH1A1LMNACA2CA1CA5A

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
EP-0447645-A1 Aralkylesulfonyl ureas BAYER AG (DE) 1991-09-25 EP disclosed