SCHEMBL11391771

SCHEMBL11391771

COC(=O)c1cc(NC(=O)c2ccccc2)c(Cl)c(S(=O)(=O)n2cccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.47
▸ RAB9A P51151 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.39

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
SCHEMBL11390814 0.86 FBP1 (0.46) FBP1RAB9AHSD17B10KDM4EMAPK1
SCHEMBL11390793 0.83 FBP1 (0.44) FBP1RAB9AHSD17B10KDM4EMAPK1
SCHEMBL11400234 0.81 KDM4E (0.54) FBP1RAB9AHSD17B10KDM4EMAPK1
SCHEMBL11393931 0.77 FBP1 (0.51) FBP1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL11388406 0.74 FBP1 (0.50) FBP1KDM4EMAPK1ALDH1A1MEN1
SCHEMBL11397185 0.71 CA1 (0.42) FBP1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL11396073 0.69 FBP1 (0.47) FBP1HSD17B10KDM4EMAPK1ALDH1A1
SCHEMBL14742913 0.68 RAB9A (0.49) RAB9AHSD17B10KDM4EMAPK1ALDH1A1
SCHEMBL4921514 0.67 HDAC1 (0.73) RAB9AHSD17B10KDM4EMAPK1PTPN1
SCHEMBL25262559 0.66 RAB9A (0.79) RAB9AKDM4EALDH1A1MEN1KMT2A

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-4288449-A DIURETICS BASF AKTIENGESELLSCHAFT (DE) 1981-09-08 — — US disclosed
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