SCHEMBL6922062

SCHEMBL6922062

CC(C)(C)[C@H](NC(=O)Nc1cccnc1Cl)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
OPRM1 P35372 1/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A9 P48067 1/20 0.36
MMP2 P08253 4/20 0.35
MMP3 P08254 2/20 0.35
BMP1 P13497 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6825085 0.88 HDAC1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL6923084 0.88 HDAC1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL6827632 0.88 TAS1R3 (0.44) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL6822309 0.88 TAS1R3 (0.47) RAB9ANPC1MMP2MMP3BMP1
SCHEMBL6827629 0.87 HTT (0.36) SMN1; SMN2HTTOPRM1KMT2ARAB9A
SCHEMBL6922133 0.87 P2RX7 (0.45) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL6824912 0.87 KDM4E (0.35) RAB9AGAANPC1MMP2MMP3
SCHEMBL6825244 0.86 MEN1 (0.41) KMT2ARAB9AMEN1NPC1MMP2
SCHEMBL6825435 0.85 NPC1 (0.43) SMN1; SMN2HTTRAB9AGAAALDH1A1
SCHEMBL6825943 0.84 KMT2A (0.44) KMT2ARAB9AMEN1GAAALDH1A1

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