SCHEMBL6626527

SCHEMBL6626527

COc1ccc(Oc2cc(Cl)nc(SC)n2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 3/20 0.41
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
NPBWR1 P48145 2/20 0.39
MCHR1 Q99705 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL4744962 0.82 LMNA (0.41) TSHRLMNANPSR1MEN1KMT2A
SCHEMBL6625062 0.81 MEN1 (0.59) TSHRLMNANPSR1MEN1KMT2A
SCHEMBL6623489 0.81 KMT2A (0.45) TSHRLMNANPSR1MEN1KMT2A
SCHEMBL6629111 0.79 RXRA (0.44) TSHRLMNANPSR1MEN1KMT2A
SCHEMBL23884161 0.78 MEN1 (0.50) TSHRLMNANPSR1MEN1KMT2A
SCHEMBL6623348 0.78 MEN1 (0.69) TSHRLMNANPSR1MEN1KMT2A
SCHEMBL991954 0.77 POLB (0.44) TSHRLMNANPSR1MEN1KMT2A
SCHEMBL6625940 0.76 MEN1 (0.58) TSHRLMNANPSR1MEN1KMT2A
SCHEMBL23900394 0.75 KMT2A (0.47) TSHRLMNANPSR1MEN1KMT2A
SCHEMBL7797707 0.75 ALDH1A1 (0.43) TSHRLMNANPSR1MEN1KMT2A

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