SCHEMBL6920266

SCHEMBL6920266

CC(C)[C@H](NC(=O)Nc1cc(F)ccc1N1CCCC1)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
KCNQ2 O43526 4/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 3/20 0.35
BTK Q06187 1/20 0.35
CDK4 P11802 1/20 0.35
CDK9 P50750 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL6922708 0.98 TDP1 (0.36) TDP1KCNQ2MAPTLMNABTK
SCHEMBL6922960 0.90 MAPT (0.36) TDP1KCNQ2MAPTLMNABTK
SCHEMBL6822378 0.90 MAPT (0.37) KCNQ2MAPTLMNABTKCDK4
SCHEMBL6919406 0.90 HDAC1 (0.38) TDP1KCNQ2LMNABTKTP53
SCHEMBL6923744 0.89 MAPT (0.37) KCNQ2MAPTLMNABTKCDK4
SCHEMBL6825319 0.88 PKM (0.44) L3MBTL1PKM
SCHEMBL6827598 0.88 PKM (0.37) MAPTL3MBTL1PKMSMN1; SMN2
SCHEMBL6822126 0.86 POLB (0.37) MAPTL3MBTL1PKMSMN1; SMN2
SCHEMBL6923411 0.83 ALDH1A1 (0.42) MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL6920142 0.81 MAPT (0.36) KCNQ2MAPTLMNABTKCDK4

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 disclosed