SCHEMBL493708

SCHEMBL493708

COc1ccccc1-c1noc(C(=O)NCC(=O)NCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.37
VCP P55072 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MTTP P55157 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 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
SCHEMBL493514 0.85 HDAC4 (0.44) KMT2ANPC1MEN1MAPTLMNA
SCHEMBL494415 0.83 TSHR (0.42) KMT2APOLBNPC1ALDH1A1TSHR
SCHEMBL493621 0.81 CYP2D6 (0.45) NPC1ALDH1A1SMN1; SMN2TACR3
SCHEMBL1327843 0.79 LMNA (0.45) NPC1LMNASMN1; SMN2MTTP
SCHEMBL493256 0.79 SMN1; SMN2 (0.44) KMT2APOLBNPC1MEN1MAPT
SCHEMBL1328275 0.79 DRD2 (0.42) POLBHCRTR1HCRTR2
SCHEMBL492929 0.77 RAB9A (0.37) TSHRSLC6A9LMNATP53
SCHEMBL492704 0.74 OPRL1 (0.44)
SCHEMBL493393 0.74 OPRL1 (0.44)
SCHEMBL493737 0.74 KMT2A (0.49) KMT2APOLBMAPT

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed