SCHEMBL6495876

SCHEMBL6495876

O=C1NC(=O)C(Cc2cc(C(=O)NCc3ccccc3F)c(Cl)cc2Cl)S1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B13 Q7Z5P4 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
P2RX7 Q99572 1/20 0.39
PPARG P37231 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
PDE10A Q9Y233 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAOB P27338 1/20 0.38
EPHX2 P34913 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
SCHEMBL6503028 0.89 PDE10A (0.47) HPGDALDH1A1MAPTKMT2AP2RX7
SCHEMBL6506747 0.89 CA2 (0.48) HPGDALDH1A1MAPTTSHRKMT2A
SCHEMBL6494454 0.83 HPGD (0.45) HPGDALDH1A1MAPTTSHRMEN1
SCHEMBL6502341 0.82 EPHX2 (0.44) HPGDALDH1A1MAPTTSHRMEN1
SCHEMBL6495951 0.81 HPGD (0.53) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL6494246 0.80 LMNA (0.44) HPGDALDH1A1MAPTTSHRMEN1
SCHEMBL6501926 0.78 KMT2A (0.45) HPGDALDH1A1MAPTTSHRMEN1
SCHEMBL6503004 0.75 HPGD (0.46) HPGDMAPTTP53GAALMNA
SCHEMBL6506024 0.74 MAPT (0.47) HPGDALDH1A1MAPTTSHRMEN1
SCHEMBL6503133 0.74 LMNA (0.56) HPGDALDH1A1MAPTTSHRMEN1

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