SCHEMBL6825911

SCHEMBL6825911

CC(C)(CNC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL6825386 0.98 TP53 (0.38) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6824982 0.93 RAB9A (0.41) MAPTSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL6825485 0.91 RAB9A (0.43) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6825369 0.90 TP53 (0.38) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6822142 0.90 KMT2A (0.49) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6827642 0.89 NPC1 (0.38) POLBRAB9A
SCHEMBL6825402 0.88 ALDH1A1 (0.49) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6822311 0.88 NPC1 (0.40) POLBCYP2C19RAB9A
SCHEMBL6827780 0.83 EPHX2 (0.53) TP53SMN1; SMN2KMT2AMEN1POLB
SCHEMBL6825899 0.83 RAB9A (0.42) MAPTSMN1; SMN2KMT2AMEN1POLB

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