SCHEMBL8931775

SCHEMBL8931775

COc1cccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
ATM Q13315 1/20 0.69
MAPT P10636 10/20 0.58
ALDH1A1 P00352 6/20 0.56
LMNA P02545 2/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A9 P48067 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL8931637 0.86 MEN1 (0.70) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL8931743 0.83 MAPT (0.64) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL22465858 0.82 KMT2A (1.00) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL8931734 0.81 MEN1 (0.62) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL2528296 0.79 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8931660 0.77 MAPT (0.69) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL854731 0.76 MAPT (0.74) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30464683 0.76 MAPT (0.74) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL11554411 0.76 ALDH1A1 (0.70) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3440078 0.76 MEN1 (0.77) MEN1KMT2AATMMAPTALDH1A1

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-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 WO disclosed