SCHEMBL28807983

SCHEMBL28807983

CC(=O)NCCNC(=O)Nc1cccc(C)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MAPT P10636 3/20 0.61
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
CNR1 P21554 2/20 0.56
PKM P14618 1/20 0.55
LMNA P02545 1/20 0.53

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
SCHEMBL10192064 0.86 MAPT (0.72) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL28807981 0.85 SMN1; SMN2 (0.66) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3781565 0.84 ALDH1A1 (0.67) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2058714 0.84 KMT2A (0.63) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8103859 0.84 MAPT (0.70) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10192072 0.83 MEN1 (0.69) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27941643 0.83 EPHX1 (0.70) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL9471665 0.83 KMT2A (0.65) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12156588 0.83 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL10172965 0.82 NPC1 (0.68) HSD17B10KMT2AMEN1ALDH1A1SMN1; 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
CN-103373969-A Phenyl imidazole ring-substituted amide compounds as well as preparation method and application for same SHANGHAI INST ORGANIC CHEM 2013-10-30 CN disclosed