SCHEMBL29328399

SCHEMBL29328399

COC(=O)c1ccc(C2CC(=O)NCCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
ATM Q13315 2/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PIM1 P11309 1/20 0.41
TSHR P16473 3/20 0.41

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
SCHEMBL25076845 0.78 KDM4E (0.47) HTTMAPK1KDM4EALDH1A1HPGD
SCHEMBL30988614 0.78 KDM4E (0.47) HTTMAPK1KDM4EALDH1A1HPGD
SCHEMBL29328366 0.77 HTT (0.44) HTTMAPK1TP53KDM4EALDH1A1
SCHEMBL25076838 0.77 MEN1 (0.48) HTTMAPK1TP53KDM4EALDH1A1
SCHEMBL13741356 0.77 ALDH1A1 (0.48) HTTMAPK1KDM4EALDH1A1HPGD
SCHEMBL3529098 0.75 ALDH1A1 (0.47) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17782257 0.75 ALDH1A1 (0.47) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9409583 0.75 HTT (0.57) HTTMAPK1TP53KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1652940 0.74 ALDH1A1 (0.46) HTTKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL17782206 0.74 ALDH1A1 (0.46) HTTKDM4EALDH1A1HPGDHSD17B10

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed