SCHEMBL30968889

SCHEMBL30968889

O=C(O)c1ccnc2sccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
DHODH Q02127 1/20 0.49
KDM4E B2RXH2 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4A O75164 2/20 0.46
EGLN1 Q9GZT9 2/20 0.46
HIF1AN Q9NWT6 1/20 0.46
PSMD14 O00487 1/20 0.44
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
SPR P35270 2/20 0.43
CAMKK1 Q8N5S9 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 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
SCHEMBL11278687 1.00 PKM (0.49) PKMDHODHKDM4EL3MBTL1RAB9A
SCHEMBL20509746 0.83 HTT (0.49) PKMDHODHKDM4ERAB9ASPR
SCHEMBL30968893 0.83 KDM4E (0.47) PKMDHODHKDM4EL3MBTL1RAB9A
SCHEMBL1901177 0.77 PKM (0.46) PKMDHODHKDM4ERAB9ASPR
SCHEMBL4904903 0.75 PKM (0.45) PKMDHODHRAB9ASPRCAMKK1
SCHEMBL9525340 0.75 HAVCR2 (0.48) PKMDHODHKDM4EL3MBTL1KDM4A
SCHEMBL9754157 0.74 KDM4E (0.48) PKMDHODHKDM4EL3MBTL1RAB9A
SCHEMBL20509551 0.73 KDM4E (0.37) PKMKDM4ERAB9ALMNACYP1A2
SCHEMBL30935918 0.72 ALDH1A1 (0.52) PKMDHODHKDM4ERAB9AALDH1A1
SCHEMBL23412562 0.72 KDM4C (0.42) PKMKDM4EL3MBTL1RAB9AKDM4A

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-118059093-A Inhibitors of short chain dehydrogenase activity for the treatment of fibrosis 卡斯西部储备大学 2024-05-24 CN disclosed