SCHEMBL20851771

SCHEMBL20851771

Cc1ccc(NC(=O)CC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.74
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
ATM Q13315 1/20 0.62
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
TDP1 Q9NUW8 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
SCHEMBL25986986 0.92 SMN1; SMN2 (0.65) POLBKMT2AMEN1ATMNPC1
SCHEMBL7696576 0.91 KMT2A (0.68) POLBKMT2AMEN1ATMNPC1
SCHEMBL6537209 0.91 RAB9A (0.71) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL6627891 0.89 KMT2A (0.69) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL8141144 0.86 POLB (1.00) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL600578 0.81 RAB9A (0.83) POLBKMT2AMEN1ATMNPC1
SCHEMBL12629995 0.81 KMT2A (0.84) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL3317511 0.81 CA12 (0.62) POLBKMT2AMEN1HDAC3HDAC4
SCHEMBL11572863 0.80 RAB9A (0.71) KMT2AMEN1NPC1RAB9AHDAC3
SCHEMBL1201297 0.80 KMT2A (0.62) POLBKMT2AMEN1ATMNPC1

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-2019056515-A1 MULTI-SUBSTITUTED QUINOLINE-COORDINATED IRIDIUM-HYBRIDIZED COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京工业大学 2019-03-28 WO disclosed