SCHEMBL9190084

SCHEMBL9190084

Cc1cc(C)nc(Oc2cccc(Oc3nc(C)cc(C)n3)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 2/20 0.44
PAX8 Q06710 1/20 0.43
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL8993447 0.90 ALDH1A1 (0.50) HTTALDH1A1SMN1; SMN2POLBGAA
SCHEMBL10411730 0.87 PAX8 (0.56) HTTALDH1A1SMN1; SMN2POLBGAA
SCHEMBL9195983 0.85 MEN1 (0.54) HTTALDH1A1SMN1; SMN2POLBGAA
SCHEMBL7074089 0.83 SMN1; SMN2 (0.41) HTTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL29716237 0.81 HTT (0.44) HTTALDH1A1SMN1; SMN2POLBGAA
SCHEMBL22009623 0.81 HTT (0.44) HTTALDH1A1SMN1; SMN2POLBGAA
SCHEMBL9379271 0.78 HTT (0.61) HTTALDH1A1SMN1; SMN2POLBGAA
SCHEMBL2894987 0.77 HTT (0.44) HTTALDH1A1SMN1; SMN2POLBGAA
SCHEMBL17624255 0.75 LMNA (0.51) ALDH1A1SMN1; SMN2GAALMNAL3MBTL1
SCHEMBL10678175 0.75 ALDH1A1 (0.58) HTTALDH1A1SMN1; SMN2POLBGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321846-B1 Pyrimidine derivatives, processes for their production, and herbicidal method and compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1995-04-19 EP disclosed
US-5081244-A PYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, AND HERBICIDAL METHOD AND COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-01-14 US disclosed
US-4906285-A Pyrimidine derivatives and herbicidal method and compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-03-06 US disclosed
EP-0321846-A2 Pyrimidine derivatives, processes for their production, and herbicidal method and compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-06-28 EP disclosed