SCHEMBL31494441

SCHEMBL31494441

c1cc(-c2ccnc(SCc3nc(-c4ccc5c(c4)OCO5)no3)n2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
POLB P06746 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 3/20 0.45
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
TSHR P16473 3/20 0.44
PKM P14618 2/20 0.43
TP53 P04637 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPK1 P28482 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42

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
SCHEMBL27218773 0.84 NPC1 (0.45) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31494372 0.84 SMN1; SMN2 (0.49) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31494371 0.82 SMN1; SMN2 (0.47) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31494431 0.82 RAB9A (0.45) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27218858 0.78 RAB9A (0.47) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27218731 0.78 GSK3A (0.69) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL31494422 0.78 RAB9A (0.55) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31494419 0.78 NPC1 (0.46) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31494458 0.77 RAB9A (0.54) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27218787 0.77 RAB9A (0.54) LMNANPC1RAB9ASMN1; SMN2MEN1

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