SCHEMBL28433432

SCHEMBL28433432

CC1=NN(c2ccc(Br)cc2)C(C=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ PRKCZ Q05513 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ GAA P10253 3/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ TERT O14746 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33

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 0.87 MAPT (0.40) MAPTALDH1A1HTTPRKCZSMN1; SMN2
SCHEMBL25178380 0.84 MAPT (0.48) MAPTALDH1A1HTTPRKCZSMN1; SMN2
SCHEMBL28523211 0.75 KMT2A (0.47) MAPTALDH1A1PRKCZSMN1; SMN2GAA
SCHEMBL5805189 0.72 MAPT (0.64) MAPTALDH1A1HTTPRKCZSMN1; SMN2
SCHEMBL28776773 0.72 TERT (0.32) MAPTALDH1A1HTTSMN1; SMN2TERT
SCHEMBL13666120 0.69 LOX (0.34) MAPTALDH1A1PRKCZPDE5AGAA
SCHEMBL15720223 0.63 FFAR1 (0.53) MAPTPRKCZPDE5AGAAATM
SCHEMBL28774867 0.62 MEN1 (0.36) MAPTALDH1A1HTTPRKCZSMN1; SMN2
SCHEMBL20663324 0.62 PRKCZ (0.41) MAPTALDH1A1HTTPRKCZSMN1; SMN2
SCHEMBL29349021 0.61 HRH3 (0.42) ALDH1A1SMN1; SMN2GAAATMLMNA

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-111440181-A Dipyrazolo seven-membered oxygen heterocyclic compound containing quinoline structure and synthetic method thereof 烟台大学 2020-07-24 — — CN disclosed
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