SCHEMBL6825396

SCHEMBL6825396

COc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCCC1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.51
MEN1 O00255 8/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 8/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNT1 Q5JUK3 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
SCHEMBL6822139 0.98 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6825370 0.93 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6825256 0.90 CYP2C19 (0.38) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6825934 0.89 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL6822293 0.89 LMNA (0.41) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6825842 0.89 ALDH1A1 (0.53) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6922479 0.88 SMN1; SMN2 (0.39) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6822409 0.88 TDP1 (0.46) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6825910 0.88 MEN1 (0.37) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6824826 0.88 RAB9A (0.43) MAPTALDH1A1LMNATSHRGAA

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