SCHEMBL8302388

SCHEMBL8302388

CS(=O)(=O)c1ccc(C(=O)O)cc1.Cc1c(C(=O)O)ccc(S(C)(=O)=O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LMNA P02545 1/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
AKR1C3 P42330 2/20 0.38
APEX1 P27695 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 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
SCHEMBL30963122 0.88 L3MBTL1 (0.42) LMNAKDM4EPOLBL3MBTL1MEN1
SCHEMBL1780016 0.88 L3MBTL1 (0.42) LMNAKDM4EPOLBL3MBTL1MEN1
SCHEMBL34837 0.76 CA2 (0.61) CA12CA1CA2CA9CA14
SCHEMBL530859 0.76 L3MBTL1 (0.42) L3MBTL1ALDH1A1
SCHEMBL28519039 0.76 L3MBTL1 (0.42) LMNAKDM4EPOLBL3MBTL1MEN1
SCHEMBL7948251 0.75 LMNA (0.43) CA12CA9LMNAPTGS2
SCHEMBL10425701 0.75 HSD17B13 (0.51) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL11213950 0.75 CA2 (0.59) CA12CA1CA2CA9CA14
SCHEMBL8138242 0.73 ALDH1A1 (0.42) CA1CA2LMNAL3MBTL1ALDH1A1
SCHEMBL30595097 0.73 ALDH1A1 (0.42) CA1CA2LMNAL3MBTL1ALDH1A1

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
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed