SCHEMBL3945865

SCHEMBL3945865

CCOc1ccc2[nH]cc(CC(C)(C(=O)OC)[N+](=O)[O-])c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ ICMT O60725 1/20 0.44
▸ MTNR1A P48039 6/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ MTNR1B P49286 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ MPO P05164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL1008767 0.90 KDM4E (0.55) MEN1KMT2AFAAHKDM4EALDH1A1
SCHEMBL4033276 0.90 LTA4H (0.46) MEN1KMT2AFAAHKDM4EMTNR1A
SCHEMBL4036607 0.87 MEN1 (0.43) MEN1KMT2AFAAHKDM4EALDH1A1
SCHEMBL4036611 0.87 MEN1 (0.43) MEN1KMT2AFAAHKDM4EALDH1A1
SCHEMBL4038119 0.87 TRPV1 (0.51) MEN1KMT2AFAAHKDM4EALDH1A1
SCHEMBL3952437 0.87 MTNR1A (0.44) MEN1KMT2AFAAHKDM4EALDH1A1
SCHEMBL4038114 0.87 TRPV1 (0.51) MEN1KMT2AFAAHKDM4EALDH1A1
SCHEMBL3950827 0.83 ICMT (0.49) MEN1KMT2AKDM4EALDH1A1ICMT
SCHEMBL1081600 0.81 KDM4E (0.59) MEN1KMT2AFAAHKDM4EALDH1A1
SCHEMBL4688784 0.80 SCN9A (0.44) MEN1KMT2AFAAHKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009024613-A1 TETRACYCLIC INDOLOPYRIDINES AS EG5 INHIBITORS 4SC AG (DE) 2009-02-26 — — WO disclosed
EP-1996592-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS Nycomed GmbH (DE) 2008-12-03 — — EP disclosed
EP-1994033-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2008-11-26 — — EP disclosed
WO-2007096395-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2007-08-30 — — WO disclosed
WO-2007096393-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2007-08-30 — — WO disclosed
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