SCHEMBL9218757

SCHEMBL9218757

Cc1ccc2oc(CN(Cc3ccco3)C(=O)Nc3c(F)cc(F)cc3F)c(-c3ccc(Br)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 4/20 0.36
TSHR P16473 3/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9220478 0.95 MAPT (0.42) TP53MAPTL3MBTL1THRBALDH1A1
SCHEMBL9215158 0.94 MAPT (0.43) TP53MAPTL3MBTL1THRBALDH1A1
SCHEMBL9220263 0.92 TP53 (0.46) TP53MAPTL3MBTL1THRBALDH1A1
SCHEMBL9215360 0.89 MAPT (0.43) TP53MAPTTHRBALDH1A1GAA
SCHEMBL9212111 0.88 MEN1 (0.44) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL9211389 0.82 MEN1 (0.46) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL9209170 0.82 MEN1 (0.46) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL6936582 0.81 L3MBTL1 (0.49) MAPTL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL9213879 0.80 L3MBTL1 (0.39) TP53MAPTL3MBTL1THRBALDH1A1
SCHEMBL5500482 0.80 MEN1 (0.44) TP53MAPTL3MBTL1THRBALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP claimed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP claimed
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed