SCHEMBL31434590

SCHEMBL31434590

CC(=O)OCc1cc(-c2ccncc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ NOTUM Q6P988 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ GRK2 P25098 1/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP2E1 P05181 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40

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
SCHEMBL31434811 0.85 CYP2E1 (0.60) MAPTSMN1; SMN2CYP1A2POLBRAB9A
SCHEMBL5901126 0.84 RAB9A (0.54) MAPTSMN1; SMN2CYP1A2POLBRAB9A
SCHEMBL14707191 0.77 RAB9A (0.61) MAPTSMN1; SMN2CYP1A2POLBRAB9A
SCHEMBL31434870 0.75 NOTUM (0.71) SMN1; SMN2CYP1A2POLBRAB9ANPC1
SCHEMBL189528 0.74 SMN1; SMN2 (0.48) MAPTSMN1; SMN2CYP1A2POLBRAB9A
SCHEMBL9275897 0.73 MEN1 (0.51) SMN1; SMN2POLBRAB9ANPC1TDP1
SCHEMBL190189 0.72 MAPT (0.48) MAPTSMN1; SMN2CYP1A2POLBRAB9A
SCHEMBL23930594 0.72 RAB9A (0.50) MAPTSMN1; SMN2CYP1A2POLBRAB9A
SCHEMBL11852086 0.72 NOTUM (0.53) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL9131727 0.72 ALDH1A1 (0.45) MAPTRAB9ANPC1ALDH1A1KMT2A

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-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 — — WO disclosed
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