SCHEMBL31528053

SCHEMBL31528053

C=C(Cc1nc(-c2ccc(Oc3ccccn3)c(C)c2)no1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.44
▸ MAPT P10636 6/20 0.44
▸ LMNA P02545 4/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ GSTP1 P09211 3/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL31527896 0.89 FFAR1 (0.44) TSHRMAPTLMNASMN1; SMN2NPC1
SCHEMBL31527938 0.89 GSTP1 (0.39) TSHRMAPTLMNAL3MBTL1MAPK1
SCHEMBL30689347 0.84 IP6K1 (0.48) TSHRLMNAL3MBTL1MAPK1SMN1; SMN2
SCHEMBL31527877 0.81 GSTP1 (0.44) SMN1; SMN2NPC1RAB9AGSTP1
SCHEMBL30689409 0.81 FFAR4 (0.41) TSHRGSTP1KMT2AALDH1A1FFAR1
SCHEMBL30689405 0.79 MAPT (0.36) TSHRMAPTLMNAL3MBTL1MAPK1
SCHEMBL31528000 0.78 PDE4D (0.39) TSHRMAPTLMNAL3MBTL1MAPK1
SCHEMBL30689359 0.78 IP6K1 (0.39) MAPTLMNAL3MBTL1MAPK1SMN1; SMN2
SCHEMBL30689399 0.77 MAPT (0.39) TSHRMAPTLMNAL3MBTL1MAPK1
SCHEMBL31527931 0.76 MAPT (0.42) TSHRMAPTLMNAL3MBTL1MAPK1

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
CN-119968366-A Oxadiazole derivatives, methods of preparation and use thereof in the treatment of inflammatory diseases 西特瑞治疗有限公司 2025-05-09 — — CN disclosed
Send feedback