SCHEMBL29452012

SCHEMBL29452012

COCC(C(=O)OC)n1ncc(Cl)c(Cl)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.43
HTT P42858 12/20 0.43
RAB9A P51151 11/20 0.43
NPSR1 Q6W5P4 10/20 0.43
NPC1 O15118 9/20 0.43
LMNA P02545 7/20 0.43
S1PR4 O95977 5/20 0.43
S1PR1 P21453 5/20 0.43
S1PR2 O95136 3/20 0.43
CYP1A2 P05177 2/20 0.43
HSP90AA1 P07900 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.43
HCRTR1 O43613 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
TLR9 Q9NR96 1/20 0.43
MAPT P10636 10/20 0.41
KMT2A Q03164 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
SCHEMBL29451267 0.88 ALDH1A1 (0.42) ALDH1A1HTTRAB9ANPSR1NPC1
SCHEMBL1010562 0.80 ALDH1A1 (0.47) ALDH1A1HTTRAB9ANPSR1NPC1
SCHEMBL29452152 0.80 ALDH1A1 (0.41) ALDH1A1HTTRAB9ANPSR1NPC1
SCHEMBL29451634 0.80 ALDH1A1 (0.41) ALDH1A1HTTRAB9ANPSR1NPC1
SCHEMBL29451901 0.77 ALDH1A1 (0.44) ALDH1A1HTTRAB9ANPSR1NPC1
SCHEMBL29451777 0.74 ALDH1A1 (0.45) ALDH1A1HTTRAB9ANPSR1NPC1
SCHEMBL29452103 0.74 ALDH1A1 (0.45) ALDH1A1HTTRAB9ANPSR1NPC1
SCHEMBL29451356 0.72 ALDH1A1 (0.45) ALDH1A1HTTRAB9ANPSR1NPC1
SCHEMBL29451726 0.72 ALDH1A1 (0.45) ALDH1A1HTTRAB9ANPSR1NPC1
SCHEMBL29451421 0.71 ALDH1A1 (0.44) ALDH1A1HTTRAB9ANPSR1NPC1

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-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed