SCHEMBL27489531

SCHEMBL27489531

C=Cc1ccccc1-c1[nH]nc(N)c1C(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HTT P42858 3/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ TSHR P16473 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ GALK1 P51570 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ ATM Q13315 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
SCHEMBL14710459 0.72 HTT (0.75) SMN1; SMN2HTTMAPK10HSD17B10RAB9A
SCHEMBL16268584 0.70 HTT (0.65) SMN1; SMN2HTTMAPK10TSHRHSD17B10
SCHEMBL17781303 0.70 SMN1; SMN2 (0.53) SMN1; SMN2HTTMAPK10TSHRHSD17B10
SCHEMBL942577 0.69 PDE4D (0.56) SMN1; SMN2HTTMAPK10HSD17B10RAB9A
SCHEMBL600955 0.69 PDE4D (0.71) SMN1; SMN2HTTMAPK10HSD17B10RAB9A
SCHEMBL8529906 0.68 ALOX5 (0.52) SMN1; SMN2HTTMAPK10TSHRHSD17B10
SCHEMBL11160154 0.68 SMN1; SMN2 (0.55) SMN1; SMN2HTTMAPK10HSD17B10RAB9A
SCHEMBL2002577 0.68 TSHR (0.67) MAPK10TSHRHSD17B10KDM4ETP53
SCHEMBL30385424 0.68 TSHR (0.67) MAPK10TSHRHSD17B10KDM4ETP53
SCHEMBL25194957 0.68 CA12 (0.56) SMN1; SMN2HTTTSHRHSD17B10RAB9A

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-1120837-A Pyrazole derivatives NISSAN CHEMICAL IND LTD (JP) 1996-04-17 — — CN disclosed
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