SCHEMBL11370585

SCHEMBL11370585

Cc1ccc2oc(-c3cc4ccc(NS(=O)(=O)c5ccccc5)cc4oc3=O)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 16/20 0.62
▸ PTPN5 P54829 16/20 0.62
▸ PTPN2 P17706 14/20 0.62
▸ MAPT P10636 4/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HSPD1 P10809 3/20 0.58
▸ HSPE1 P61604 3/20 0.58
▸ XBP1 P17861 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ LMNA P02545 1/20 0.49

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
SCHEMBL9427116 0.81 METAP2 (0.51) PTPN1PTPN5PTPN2MAPTKDM4E
SCHEMBL26073482 0.79 AGPAT2 (0.49) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL11231219 0.76 KDM4E (0.66) PTPN1PTPN5PTPN2KDM4EALDH1A1
SCHEMBL26050351 0.76 KDM4E (0.74) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL6085198 0.76 PTPN1 (0.61) PTPN1PTPN5PTPN2MAPTKDM4E
SCHEMBL24270367 0.75 MAPT (0.52) PTPN1PTPN5PTPN2MAPTKDM4E
SCHEMBL2243342 0.75 PTPN1 (1.00) PTPN1PTPN5PTPN2MAPTKDM4E
SCHEMBL11006648 0.74 PIK3CD (0.62) PTPN1PTPN5PTPN2MAPTKDM4E
SCHEMBL31701131 0.74 PTPN1 (1.00) PTPN1PTPN5PTPN2MAPTKDM4E
SCHEMBL4494186 0.73 MAPT (0.69) MAPTKDM4EALDH1A1MEN1HPGD

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-0021304-A1 Coumarin compounds, their preparation and their use as dyestuffs BAYER AG (DE) 1981-01-07 — — EP disclosed
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