SCHEMBL6532409

SCHEMBL6532409

O=C(Nc1cccc(-c2ccccc2)c1)c1cc[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.55
ADORA3 P0DMS8 1/20 0.52
POLB P06746 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CNR1 P21554 3/20 0.50
HIF1A Q16665 1/20 0.49
ALOX5 P09917 1/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
AHR P35869 1/20 0.46

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
SCHEMBL6532295 0.87 PTPN1 (0.53) POLBKMT2A
SCHEMBL19748 0.86 KMT2A (0.61) POLBKMT2ACNR1
SCHEMBL30677473 0.81 MEN1 (0.58) KMT2AMEN1
SCHEMBL4560140 0.81 RAB9A (0.57) KMT2AMEN1AHR
SCHEMBL28118358 0.79 KMT2A (0.54) POLBKMT2ACNR1
SCHEMBL6003890 0.78 GRM4 (0.64) POLBKMT2AMEN1
SCHEMBL20227586 0.75 KCNK3 (0.79) MGLLADORA3POLBKMT2AMEN1
SCHEMBL23246073 0.75 GRM4 (0.57) ADORA3POLBKMT2AMEN1
Biphenyl SCHEMBL27870431 0.74 LMNA (0.43)
SCHEMBL23246094 0.74 RAB9A (0.55) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed