SCHEMBL31494455

SCHEMBL31494455

Cc1cc(C)cc(OCc2noc(CSc3nc(C)cc(N)n3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.33
▸ ATM Q13315 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ HPGD P15428 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL27218673 0.86 RAB9A (0.46) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL27218748 0.85 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL31528335 0.85 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL27218782 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL27218708 0.79 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL27218817 0.78 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL31494410 0.72 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL27218777 0.71 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL27218874 0.71 HTT (0.69) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL14214596 0.71 PKM (0.39) RAB9ANPC1SMN1; SMN2HTTLMNA

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
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