SCHEMBL11216056

SCHEMBL11216056

[CH2]CNC(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.57
▸ MAPT P10636 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47

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
SCHEMBL8760125 0.81 CASP6 (0.62) CASP6MAPTLMNAHTTNPSR1
SCHEMBL11654108 0.81 CASP6 (0.67) CASP6MAPTLMNAHTTNPSR1
SCHEMBL16324795 0.79 ALDH1A1 (0.67) CASP6MAPTLMNAHTTNPSR1
SCHEMBL8302813 0.79 SMN1; SMN2 (0.60) CASP6MAPTLMNAHTTCYP1A2
SCHEMBL11191042 0.79 ALDH1A1 (0.56) CASP6MAPTLMNAHTTALDH1A1
SCHEMBL1524805 0.78 MAPT (0.62) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL22734863 0.78 CASP6 (0.62) CASP6MAPTLMNAHTTNPSR1
SCHEMBL20982472 0.78 SMN1; SMN2 (0.65) CASP6MAPTLMNAHTTNPSR1
SCHEMBL8026418 0.76 ALDH1A1 (0.64) MAPTLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL20982693 0.76 PRMT5 (0.60) CASP6MAPTLMNAALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 — — EP claimed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 — — EP disclosed
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