SCHEMBL31499622

SCHEMBL31499622

CCc1c(N2CCNCC2)c(=O)n2nc(C3=CCCCCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.51
▸ TSHR P16473 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 6/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KCNT1 Q5JUK3 1/20 0.34
▸ KCNT2 Q6UVM3 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 3/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ TTK P33981 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL31499791 0.92 WRN (0.54) WRNTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL31499842 0.92 WRN (0.52) WRNTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL31499697 0.91 WRN (0.60) WRNTSHRMAPTKDM4EALDH1A1
SCHEMBL31499971 0.91 WRN (0.51) WRNTSHRMAPTKDM4EALDH1A1
SCHEMBL31499577 0.90 WRN (0.53) WRNTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL31499884 0.89 WRN (0.61) WRNTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL31499595 0.87 WRN (0.54) WRNTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL31500603 0.86 WRN (0.48) WRNTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL31499709 0.86 WRN (0.71) WRNTSHRSMN1; SMN2KCNT1KCNT2
SCHEMBL31499956 0.84 WRN (0.43) WRNMAPTKDM4EALDH1A1NPSR1

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
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 — — WO disclosed
CN-119899186-A Azabicyclo derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-29 — — CN disclosed
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