SCHEMBL22479596

SCHEMBL22479596

CONC(=O)c1ccc(=O)n(C)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.43
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39

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
SCHEMBL2898384 0.83 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL2890719 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL2306577 0.77 MAPT (0.55) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL21394860 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL286957 0.74 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL31728945 0.74 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL7858483 0.74 TSHR (0.66) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL31728764 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL21394858 0.72 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL21395235 0.69 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed