SCHEMBL6629111

SCHEMBL6629111

COc1cccc(OC)c1Oc1cc(Cl)nc(SC)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PPARA Q07869 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 1/20 0.41
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 0.40
NQO2 P16083 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALPL P05186 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6626527 0.79 TSHR (0.45) RXRARXRBRXRGPPARAMEN1
SCHEMBL991954 0.78 POLB (0.44) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL6623489 0.76 KMT2A (0.45) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL6623348 0.76 MEN1 (0.69) RXRARXRBRXRGPPARAMEN1
SCHEMBL4744962 0.75 LMNA (0.41) RXRARXRBRXRGPPARAMEN1
SCHEMBL23884161 0.74 MEN1 (0.50) RXRARXRBRXRGPPARAMEN1
SCHEMBL6625062 0.73 MEN1 (0.59) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL6625940 0.71 MEN1 (0.58) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL8672947 0.70 MAPT (0.50) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL5631299 0.70 DHPS (0.52) MEN1KMT2AHTTSMN1; 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