SCHEMBL29018666

SCHEMBL29018666

CC1=NN(c2ccc(C#N)cc2)C(C=O)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 12/20 0.41
▸ ELANE P08246 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ USP14 P54578 1/20 0.36

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
SCHEMBL28436430 0.84 MAPT (0.40) ELANEMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL28433432 0.82 MAPT (0.38) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL25178380 0.81 MAPT (0.48) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL28776773 0.70 TERT (0.32) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL28897005 0.68 HSD17B10 (0.41) POLBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4661651 0.65 MAPT (0.64) POLBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL30451094 0.64 KDM4E (0.42) ELANEPOLBMAPTALDH1A1KCNH2
SCHEMBL31753433 0.63 HRH3 (0.49) ELANEPOLBALDH1A1KCNH2
SCHEMBL20663324 0.60 PRKCZ (0.41) ELANEMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL20271371 0.60 KDM4E (0.54) ALDH1A1SMN1; 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-114920753-B 6-fluoro-dihydropyran [2,3-c ] pyrazole derivative and synthetic method and application thereof 华南理工大学 2023-06-20 — — CN disclosed
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