SCHEMBL6919406

SCHEMBL6919406

CC(C)[C@H](NC(=O)Nc1cc(F)ccc1N1CCCC1)C(=O)N(CC(=O)NO)CC1CCC1.CC(C)[C@H](NC(=O)Nc1cccc2cccnc12)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.38
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR7 P34969 4/20 0.36
TRPV1 Q8NER1 3/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
BTK Q06187 1/20 0.35
XIAP P98170 1/20 0.34
KCNQ2 O43526 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A9 P48067 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6920266 0.90 TDP1 (0.36) BTKKCNQ2SMN1; SMN2TDP1LMNA
SCHEMBL6922708 0.88 TDP1 (0.36) BTKKCNQ2SMN1; SMN2TDP1LMNA
SCHEMBL6827728 0.88 HDAC1 (0.47) HDAC1UBE2MDCUN1D1XIAPSMN1; SMN2
SCHEMBL6825343 0.87 HDAC1 (0.47) HDAC1UBE2MDCUN1D1XIAPSMN1; SMN2
SCHEMBL6825570 0.83 HDAC1 (0.38) HDAC1HTR2AHTR2CHTR7TRPV1
SCHEMBL6922960 0.81 MAPT (0.36) BTKKCNQ2SMN1; SMN2POLBTDP1
SCHEMBL6822378 0.81 MAPT (0.37) BTKKCNQ2POLBLMNATP53
SCHEMBL6825085 0.80 HDAC1 (0.46) HDAC1SMN1; SMN2POLBTDP1LMNA
SCHEMBL6923744 0.79 MAPT (0.37) BTKKCNQ2POLBLMNATP53
SCHEMBL6827601 0.79 HDAC1 (0.45) HDAC1UBE2MDCUN1D1XIAPSMN1; SMN2

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