SCHEMBL6623489

SCHEMBL6623489

COc1cc(OC)cc(Oc2cc(Cl)nc(SC)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.38
ESR1 P03372 2/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL991954 0.83 POLB (0.44) KMT2AMEN1HTTLMNATSHR
SCHEMBL6626527 0.81 TSHR (0.45) KMT2AMEN1HTTLMNATSHR
SCHEMBL6623348 0.81 MEN1 (0.69) KMT2AMEN1HTTLMNATSHR
SCHEMBL6625062 0.81 MEN1 (0.59) KMT2AMEN1HTTLMNATSHR
SCHEMBL4744962 0.80 LMNA (0.41) KMT2AMEN1HTTLMNATSHR
SCHEMBL23884161 0.78 MEN1 (0.50) KMT2AMEN1HTTLMNATSHR
SCHEMBL6625940 0.76 MEN1 (0.58) KMT2AMEN1HTTLMNATSHR
SCHEMBL6629111 0.76 RXRA (0.44) KMT2AMEN1HTTLMNATSHR
SCHEMBL23900394 0.75 KMT2A (0.47) KMT2AMEN1HTTLMNATSHR
SCHEMBL3315512 0.74 ADORA3 (0.49) KMT2AMEN1LMNAMAPTPOLB

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