SCHEMBL31494372

SCHEMBL31494372

Cc1ccnc(SCc2nc(-c3ccc4c(c3)OCO4)no2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL31494458 0.89 RAB9A (0.54) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL27218773 0.87 NPC1 (0.45) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL31494371 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL31494422 0.84 RAB9A (0.55) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL31494441 0.84 LMNA (0.49) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL31494431 0.84 RAB9A (0.45) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL27218815 0.84 RAB9A (0.49) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL27218761 0.84 RAB9A (0.64) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL31494432 0.83 GAA (0.53) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL27218955 0.81 NPC1 (0.51) SMN1; SMN2MAPTRAB9ANPC1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232448-B1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR Halo Therapeutics Ltd (GB) 2025-05-07 EP disclosed
EP-3956323-B1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Halo Therapeutics Ltd (GB) 2025-03-05 EP disclosed