SCHEMBL8603151

SCHEMBL8603151

O=c1[nH]nc(Cc2ccccc2)n1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
HPGD P15428 4/20 0.67
GAA P10253 2/20 0.55
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
GFER P55789 1/20 0.47
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
APOBEC3G Q9HC16 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
SCHEMBL16433913 0.81 GAA (0.46) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL5438762 0.80 ALDH1A1 (1.00) ALDH1A1HPGDGAAPOLBGFER
SCHEMBL5426181 0.79 ALDH1A1 (0.47) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL6502344 0.77 ALDH1A1 (0.51) ALDH1A1HPGDGAAPOLBL3MBTL1
SCHEMBL3521491 0.75 TDP1 (0.56) ALDH1A1HPGDL3MBTL1GFERMEN1
SCHEMBL15289351 0.74 ALDH1A1 (0.47) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL8178332 0.72 GSK3A (0.50) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL3520528 0.72 L3MBTL1 (0.66) ALDH1A1GAANPC1RAB9APOLB
SCHEMBL8414098 0.71 TSHR (0.47) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL7695139 0.71 ALDH1A1 (1.00) ALDH1A1HPGDGAAPOLBGFER

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-5767275-A Preparation of triazolone compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1998-06-16 US disclosed
EP-0668857-B1 PROCESS FOR THE PREPARATION OF TRIAZOLONE COMPOUNDS ACRAF (IT) 1998-02-25 EP disclosed
EP-0668857-A1 PROCESS FOR THE PREPARATION OF TRIAZOLONE COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 1995-08-30 EP disclosed
WO-1994011357-A1 PROCESS FOR THE PREPARATION OF TRIAZOLONE COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO (A.C.R.A.F.) S.P.A. (IT) 1994-05-26 WO disclosed