SCHEMBL8946662

SCHEMBL8946662

CC(=O)N1c2cc([N+](=O)[O-])ccc2[C@H]2Cc3ccc([N+](=O)[O-])cc3[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 2/20 0.43
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
HTT P42858 2/20 0.39
HTR1A P08908 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PNMT P11086 4/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL8946659 1.00 MAPT (0.49) MAPTKDM4ELMNACHRNB4CHRNA3
SCHEMBL8946666 1.00 MAPT (0.49) MAPTKDM4ELMNACHRNB4CHRNA3
SCHEMBL8946435 0.85 MAPT (0.47) MAPTKDM4ELMNATNFNOD2
SCHEMBL8946705 0.77 HSD17B3 (0.39) MAPTKDM4EHTTALDH1A1GAA
SCHEMBL5798736 0.76 MAPT (0.67) MAPTKDM4ELMNATNFNOD2
SCHEMBL7416582 0.70 KDM4E (0.67) MAPTKDM4ELMNATNFNOD2
SCHEMBL16135452 0.70 MAPT (0.51) MAPTKDM4ELMNATNFNOD2
SCHEMBL6971552 0.68 MAPT (0.51) MAPTKDM4ELMNATNFNOD2
SCHEMBL6583712 0.67 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4HTT
SCHEMBL6583708 0.67 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed