SCHEMBL31065797

SCHEMBL31065797

Cc1nc(C2CC2c2ccc(C(N)=O)cc2)c2ccsc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLD3 Q8IV08 1/20 0.37
HTT P42858 1/20 0.35
BACE1 P56817 2/20 0.35
PAK4 O96013 2/20 0.35
KMT2A Q03164 1/20 0.34
GLA P06280 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MAOA P21397 2/20 0.32
KDM1A O60341 1/20 0.32
CYP2C9 P11712 1/20 0.32
ATM Q13315 1/20 0.31
PLG P00747 1/20 0.31

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
SCHEMBL31065802 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EMAPK1HSD17B10L3MBTL1
SCHEMBL31065794 0.86 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EMAPK1HSD17B10L3MBTL1
SCHEMBL31065761 0.78 PLD3 (0.35) SMN1; SMN2KDM4EMAPK1HSD17B10L3MBTL1
SCHEMBL30968139 0.75 DHODH (0.35) SMN1; SMN2KDM4EKMT2AKDM1A
SCHEMBL31065793 0.73 CSNK2A1 (0.35) SMN1; SMN2KDM4EMAPK1HSD17B10L3MBTL1
SCHEMBL31065767 0.71 FASN (0.35) SMN1; SMN2L3MBTL1KMT2AALDH1A1MAOA
SCHEMBL30968033 0.70 SYK (0.33) SMN1; SMN2KDM4EL3MBTL1HTTALDH1A1
SCHEMBL30968081 0.68 KARS1 (0.36) SMN1; SMN2HTTMAPTMAOA
SCHEMBL22740095 0.65 SLC9A1 (0.53) KDM4EL3MBTL1ALDH1A1MAPTHRH3
SCHEMBL30968088 0.64 SPR (0.38) SMN1; SMN2KDM4EPAK4ALDH1A1PKM

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-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed