SCHEMBL30164935

SCHEMBL30164935

NC(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.72
POLB P06746 1/20 0.60
CNR1 P21554 3/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
GFER P55789 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
KIF11 P52732 1/20 0.55
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 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
SCHEMBL4082541 1.00 MGLL (0.72) MGLLPOLBCNR1GAAMAPT
SCHEMBL4091879 0.86 CNR1 (0.71) MGLLCNR1KIF11
SCHEMBL13749770 0.86 KIF11 (0.69) MGLLPOLBCNR1KIF11HDAC6
SCHEMBL8064236 0.86 FGFR3 (0.64) MGLLCNR1KIF11HDAC6
SCHEMBL28047630 0.84 CFD (0.57) MGLLCNR1KIF11HDAC1
SCHEMBL30331540 0.84 MGLL (0.78) MGLLPOLBCNR1HDAC1HDAC6
SCHEMBL7511547 0.84 MGLL (0.78) MGLLPOLBCNR1HDAC1HDAC6
SCHEMBL13680547 0.84 CNR1 (0.61) MGLLCNR1KIF11
SCHEMBL3690365 0.83 MAPT (0.59) GAAMAPTGFERKIF11
SCHEMBL28047623 0.83 MGLL (0.51) MGLLCNR1MAPTKIF11HDAC6

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-2022270978-A1 PHARMACEUTICAL COMPOSITION COMPRISING LIPASE INHIBITOR FOR TREATMENT OR TREATMENT OF RNA VIRAL INFECTIONS 전남대학교 산학협력단 2022-12-29 WO disclosed