SCHEMBL28776773

SCHEMBL28776773

CC1=NN(c2ccc3c(c2)CCC3C)C(C=O)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28207258 0.76 TSHR (0.36) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL28436430 0.74 MAPT (0.40) TERTALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL28523211 0.74 KMT2A (0.47) TERTALDH1A1MAPTSMN1; SMN2
SCHEMBL28158503 0.72 TERT (0.35) TERTALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL27712033 0.72 MAPT (0.38) TERTALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL28433432 0.72 MAPT (0.38) TERTALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL27369841 0.72 ALDH1A1 (0.43) TERTALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL25178380 0.71 MAPT (0.48) TERTALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL27692022 0.71 PRKCZ (0.45) ALDH1A1HTTSMN1; SMN2
SCHEMBL29018666 0.70 NR3C2 (0.41) ALDH1A1MAPTHTTSMN1; SMN2

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-101481352-A Bicycle substituted pyrazolone azo derivative, preparation thereof and use in medicine SHANGHAI HENGRUI PHARM CO LTD (CN) 2009-07-15 — — CN disclosed
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