SCHEMBL8694690

SCHEMBL8694690

CCOC(=O)c1c(O)c2cc([N+](=O)[O-])cc3c2n(c1=O)CCO3

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
EGLN1 Q9GZT9 2/20 0.44
ALDH1A1 P00352 6/20 0.40
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 3/20 0.38
AR P10275 1/20 0.36
RECQL P46063 1/20 0.36
CFTR P13569 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8693634 0.87 KDM4E (0.54) KDM4EEGLN1ALDH1A1MAPTRECQL
SCHEMBL17634137 0.84 KDM4E (0.51) KDM4EEGLN1ALDH1A1MAPTRECQL
SCHEMBL8695441 0.84 KDM4E (0.51) KDM4EEGLN1ALDH1A1RECQLSMN1; SMN2
SCHEMBL8697079 0.83 KDM4E (0.50) KDM4EEGLN1ALDH1A1RECQLSMN1; SMN2
SCHEMBL8693789 0.82 KDM4E (0.49) KDM4EEGLN1ALDH1A1MAPTRECQL
SCHEMBL31513071 0.80 MAPT (0.48) ALDH1A1RXFP1NPC1MAPTCFTR
SCHEMBL8694891 0.79 KDM4E (0.67) KDM4EEGLN1ALDH1A1RXFP1RECQL
SCHEMBL31434094 0.74 ALDH1A1 (0.49) KDM4EALDH1A1NPC1PDE4BPDE4D
SCHEMBL8694869 0.74 MAPT (0.44) EGLN1ALDH1A1NPC1PDE4BPDE4D
SCHEMBL17634296 0.71 KDM4E (0.56) KDM4EEGLN1ALDH1A1MAPTRECQL

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
US-5739130-A TREATING SYSTEMIC LUPUS ERYTHEMATOSIS, MELANOMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-14 US disclosed
US-5583135-A TREATING SYSTEMIC LUPUS ERYTHEMATOSIS OR MELANOMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-10 US disclosed
EP-0625983-A1 HETEROTRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-30 EP disclosed
WO-1993015083-A1 HETEROTRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed