SCHEMBL6629167

SCHEMBL6629167

CSc1nc(NNC(=O)c2ccco2)cc(Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.53
MEN1 O00255 7/20 0.48
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL6624257 0.88 HTT (0.47) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6627858 0.87 LMNA (0.45) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6625095 0.86 LMNA (0.44) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6625937 0.84 NPC1 (0.42) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6625765 0.83 ALDH1A1 (0.45) KMT2AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6623473 0.79 NPC1 (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6196383 0.75 KMT2A (0.47) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL6624562 0.73 MEN1 (0.53) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6623300 0.71 HTT (0.49) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6626650 0.69 MAPT (0.47) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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
EP-0976753-B1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-01-02 EP disclosed
US-6222035-B1 AS ADENOSINE A.SUB.2A RECEPTOR ANTAGONISTS AND ARE USEFUL FOR THERAPY OR OR PROPHYLAXIS OF VARIOUS DISEASES INDUCED BY HYPERACTIVITY OF ADENOSINE A.SUB.2A RECEPTORS SUCH AS PARKINSON'S DISEASE, SENILE DEMENTIA OR DEPRESSION KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-24 US disclosed
EP-0976753-A1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-02 EP disclosed