SCHEMBL31494416

SCHEMBL31494416

Cc1cc(N)nc(SCCCc2nc(-c3ccccc3)no2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ HTT P42858 2/20 0.54
▸ L3MBTL1 Q9Y468 5/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ CASP3 P42574 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
SCHEMBL27218814 0.89 LMNA (0.55) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31494430 0.86 SMN1; SMN2 (0.72) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218734 0.86 S1PR1 (0.46) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL29808136 0.82 TDP1 (0.50) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL27218886 0.76 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31494429 0.75 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218688 0.75 ALDH1A1 (0.62) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218936 0.74 RAB9A (0.71) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218668 0.74 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2LMNATDP1
SCHEMBL27218874 0.73 HTT (0.69) RAB9ANPC1SMN1; SMN2LMNAHTT

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
Send feedback