SCHEMBL6495933

SCHEMBL6495933

C=C1NC(=O)C(Cc2cccc(C(OC)C(=O)Nc3ccc(Cl)cc3F)c2)S1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 1/20 0.41
PPARG P37231 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
FPR1 P21462 1/20 0.36
FFAR1 O14842 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6503419 0.92 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPSR1GAAPPARG
SCHEMBL6495930 0.76 MEN1 (0.46) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL6503416 0.68 POLB (0.46) ALDH1A1NPSR1GAAKMT2AMEN1
SCHEMBL12682640 0.64 ALDH1A1 (0.76) ALDH1A1L3MBTL1NPSR1GAAKMT2A
SCHEMBL18119752 0.62 KMT2A (0.56) ALDH1A1NPSR1GAAKMT2AMEN1
SCHEMBL19987418 0.62 ALDH1A1 (0.56) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL28570980 0.61 KMT2A (0.55) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL28570981 0.61 KMT2A (0.55) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL21695366 0.61 KMT2A (0.58) ALDH1A1L3MBTL1NPSR1KMT2AMEN1
SCHEMBL19232114 0.61 ALDH1A1 (0.64) ALDH1A1L3MBTL1NPSR1KMT2AMEN1

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed