SCHEMBL6822142

SCHEMBL6822142

COc1ccc(Cl)cc1NC(=O)NCC(C)(C)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.49
MEN1 O00255 9/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 8/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
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
SCHEMBL6825402 0.98 ALDH1A1 (0.49) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL6825496 0.91 ALDH1A1 (0.49) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL6827634 0.91 KMT2A (0.42) KMT2AMEN1ALDH1A1GAANPSR1
SCHEMBL6822296 0.91 KMT2A (0.41) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL6825911 0.90 TP53 (0.38) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL6825607 0.89 SMN1; SMN2 (0.38) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL6825386 0.88 TP53 (0.38) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL6822283 0.88 TDP1 (0.43) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL6824982 0.88 RAB9A (0.41) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL7066677 0.87 SMN1; SMN2 (0.38) KMT2AMEN1POLBALDH1A1GAA

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