SCHEMBL29063136

SCHEMBL29063136

CCCOc1cccc2[nH]c(C(=O)NC3CC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 2/20 0.46
SRD5A2 P31213 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL29063142 0.84 RAB9A (0.61) KMT2APOLBRAB9ANPC1MEN1
SCHEMBL25768183 0.83 POLB (0.54) KMT2APOLBRAB9ANPC1MEN1
SCHEMBL23836100 0.82 KMT2A (0.57) KMT2APOLBRAB9ANPC1MEN1
SCHEMBL30310677 0.80 SRD5A2 (0.67) KMT2APOLBRAB9ANPC1MEN1
SCHEMBL24020490 0.80 SRD5A2 (0.67) KMT2APOLBRAB9ANPC1MEN1
SCHEMBL914072 0.80 SMYD3 (0.47) KMT2APOLBRAB9ANPC1MEN1
SCHEMBL29062822 0.79 SRD5A2 (0.52) KMT2APOLBRAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL916268 0.79 SMYD3 (0.46) KMT2APOLBRAB9ANPC1MEN1
SCHEMBL914457 0.78 SMYD3 (0.44) KMT2APOLBRAB9ANPC1MEN1
SCHEMBL6962173 0.77 HTR7 (0.47) KMT2APOLBRAB9ANPC1DRD3

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