SCHEMBL6629638

SCHEMBL6629638

CSc1nc(Cl)c(C)c(Oc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
HTT P42858 7/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 3/20 0.47
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6624890 0.81 MAPT (0.55) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL75623 0.72 PDE10A (0.41) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL6623348 0.71 MEN1 (0.69) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL7799660 0.70 HTT (0.81) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL8666534 0.69 KMT2A (1.00) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL4844072 0.68 KDM4E (0.49) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL6872458 0.68 KMT2A (0.63) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL8483152 0.67 KDM4E (0.59) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL31392367 0.67 KDM4E (0.59) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL25204693 0.67 MAPT (0.46) MAPTL3MBTL1HTTKMT2AMEN1

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