SCHEMBL11390793

SCHEMBL11390793

COC(=O)c1cc(NC(=O)c2ccccc2)c(Sc2ccccc2)c(S(=O)(=O)n2cccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PABPC1 P11940 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
SCHEMBL11397185 0.84 CA1 (0.42) FBP1TDP1KDM4EALDH1A1HPGD
SCHEMBL11391771 0.83 FBP1 (0.47) FBP1MAPTRAB9AKDM4EMAPK1
SCHEMBL11396073 0.83 FBP1 (0.47) FBP1MAPTKDM4EMAPK1HSD17B10
SCHEMBL11390814 0.82 FBP1 (0.46) FBP1RAB9AKDM4EMAPK1HSD17B10
SCHEMBL11397629 0.80 FBP1 (0.46) FBP1MAPTKDM4EALDH1A1MEN1
SCHEMBL11400234 0.74 KDM4E (0.54) FBP1MAPTRAB9AKDM4EMAPK1
SCHEMBL11157459 0.73 CISD1 (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL2269880 0.69 KDM4E (0.60) MAPTTDP1RAB9AKDM4EMAPK1
SCHEMBL11787976 0.68 CA2 (0.43) KDM4EHSD17B10ALDH1A1HPGDL3MBTL1
SCHEMBL11549637 0.68 KDM4E (0.50) MAPTKDM4EMAPK1HSD17B10ALDH1A1

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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