SCHEMBL24975798

SCHEMBL24975798

N=C(c1ccc2sc(C=O)nc2c1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 6/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 3/20 0.38
F10 P00742 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LIPC P11150 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL31428672 0.87 HPGD (0.51) ALDH1A1PKMSMN1; SMN2HPGDHTT
SCHEMBL24976103 0.81 SMN1; SMN2 (0.52) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL31428953 0.77 HPGD (0.63) ALDH1A1MAPTPKMHPGDLMNA
SCHEMBL31429114 0.76 RAB9A (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24977248 0.72 ALDH1A1 (0.45) ALDH1A1PKMSMN1; SMN2TSHRF10
SCHEMBL31428939 0.70 HSD17B10 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12661352 0.69 ALDH1A1 (0.36) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL31428937 0.69 HPGD (0.60) ALDH1A1NPC1RAB9APKMSMN1; SMN2
SCHEMBL14369308 0.69 HPGD (0.53) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL30163494 0.69 RAB9A (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed