SCHEMBL29063142

SCHEMBL29063142

COc1cccc2[nH]c(C(=O)NC3CC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
POLB P06746 2/20 0.61
NPC1 O15118 1/20 0.61
FLT3 P36888 2/20 0.60
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
RCE1 Q9Y256 1/20 0.59
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
HRH4 Q9H3N8 1/20 0.55
KDM4E B2RXH2 3/20 0.55

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
SCHEMBL3613812 0.88 RAB9A (0.54) RAB9APOLBNPC1FLT3KMT2A
SCHEMBL3613815 0.88 RAB9A (0.54) RAB9APOLBNPC1FLT3KMT2A
SCHEMBL3609388 0.86 HRH4 (0.58) RAB9APOLBNPC1FLT3KMT2A
SCHEMBL3609392 0.86 HRH4 (0.58) RAB9APOLBNPC1FLT3KMT2A
SCHEMBL913352 0.85 KMT2A (0.56) RAB9APOLBNPC1FLT3KMT2A
SCHEMBL29063136 0.84 KMT2A (0.48) RAB9APOLBNPC1FLT3KMT2A
SCHEMBL15506662 0.83 TAS1R3 (0.55) RAB9APOLBNPC1FLT3KMT2A
SCHEMBL5254841 0.83 KMT2A (0.54) RAB9APOLBNPC1FLT3KMT2A
SCHEMBL6835018 0.83 KMT2A (0.54) RAB9APOLBNPC1FLT3KMT2A
SCHEMBL24020782 0.82 KMT2A (0.65) RAB9APOLBNPC1FLT3KMT2A

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-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed