SCHEMBL4599766

SCHEMBL4599766

C=CCNc1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HCAR3 P49019 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TGM2 P21980 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL4599560 0.80 MAPT (0.50) MAPTLMNAHCAR3MEN1KMT2A
SCHEMBL4599148 0.75 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4600228 0.74 ALDH1A1 (0.46) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9448739 0.73 MAPT (0.54) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4521999 0.73 TDP1 (0.39) MAPTLMNAALDH1A1POLBTDP1
SCHEMBL4600195 0.72 POLB (0.56) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL4600271 0.72 LMNA (0.42) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL4598425 0.72 HPGD (0.37) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL4599615 0.72 LMNA (0.36) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4857452 0.72 MAPT (0.61) MAPTSMN1; SMN2LMNANPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed