SCHEMBL6825402

SCHEMBL6825402

COc1ccc(Cl)cc1NC(=O)NCC(C)(C)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
KMT2A Q03164 11/20 0.49
MEN1 O00255 9/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6822142 0.98 KMT2A (0.49) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6825496 0.93 ALDH1A1 (0.49) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6825386 0.90 TP53 (0.38) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6822296 0.89 KMT2A (0.41) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL6827634 0.89 KMT2A (0.42) ALDH1A1GAAKMT2AMEN1NPSR1
SCHEMBL7066677 0.89 SMN1; SMN2 (0.38) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6825485 0.88 RAB9A (0.43) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6825911 0.88 TP53 (0.38) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6822411 0.88 TDP1 (0.45) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL6825607 0.87 SMN1; SMN2 (0.38) ALDH1A1GAALMNATSHRKMT2A

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
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed