SCHEMBL21394860

SCHEMBL21394860

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 3/20 0.50
MAPT P10636 4/20 0.49
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
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.45
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40

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) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL21395273 0.82 LMNA (0.47) ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL21394858 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL22479596 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL23373223 0.76 L3MBTL1 (0.54) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL3293979 0.76 NPC1 (0.49) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL2890719 0.75 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL10274549 0.75 BAZ2B (0.67) ALDH1A1L3MBTL1LMNASMN1; SMN2RAB9A
SCHEMBL286957 0.74 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL31728945 0.74 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2

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 2 patents. 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
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed