SCHEMBL6624562

SCHEMBL6624562

CSc1nc(NNC(=O)c2ccccc2)cc(Oc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 4/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GRM5 P41594 1/20 0.42
POLB P06746 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NUDT1 P36639 1/20 0.40
NQO2 P16083 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL6627389 0.91 MEN1 (0.54) MEN1KMT2AHTTLMNATSHR
SCHEMBL7904785 0.90 KMT2A (0.46) MEN1KMT2AHTTLMNATSHR
SCHEMBL6624257 0.85 HTT (0.47) MEN1KMT2AHTTLMNATSHR
SCHEMBL6628004 0.85 MEN1 (0.47) MEN1KMT2AHTTLMNATSHR
SCHEMBL6625095 0.79 LMNA (0.44) MEN1KMT2AHTTLMNATSHR
SCHEMBL7799660 0.76 HTT (0.81) MEN1KMT2AHTTLMNATSHR
SCHEMBL6627858 0.76 LMNA (0.45) MEN1KMT2AHTTLMNATSHR
SCHEMBL6625937 0.74 NPC1 (0.42) MEN1KMT2AHTTLMNATSHR
SCHEMBL6623348 0.72 MEN1 (0.69) MEN1KMT2AHTTLMNATSHR
SCHEMBL6625765 0.71 ALDH1A1 (0.45) KMT2ALMNATSHRNPSR1MAPT

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