SCHEMBL2857557

SCHEMBL2857557

COc1ccccc1C(=O)Nc1cc(C2CC2)nn1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 4/20 0.51
BRD4 O60885 1/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 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
SCHEMBL2850458 0.81 MAPT (0.56) KCNK3KCNK9RXFP1MAPTKMT2A
SCHEMBL2852141 0.80 JAK2 (0.56) GAA
SCHEMBL28399454 0.77 KCNK3 (0.51) BRPF1BRD4KCNK3KCNK9RXFP1
SCHEMBL28398322 0.77 MAPT (0.59) BRPF1BRD4KCNK3KCNK9RXFP1
SCHEMBL2858757 0.77 MAPT (0.60) KCNK3KCNK9RXFP1MAPTKMT2A
SCHEMBL26673838 0.77 MAPT (0.51) BRPF1BRD4KCNK3KCNK9RXFP1
SCHEMBL5867557 0.76 KCNK3 (0.50) BRPF1BRD4KCNK3KCNK9RXFP1
SCHEMBL2852245 0.76 MAPT (0.53) BRPF1BRD4KCNK3KCNK9RXFP1
SCHEMBL15408194 0.76 KMT2A (0.64) KCNK3KCNK9RXFP1MAPTKMT2A
SCHEMBL20673246 0.74 ADCY1 (0.56) MAPTKMT2AMEN1NPSR1SMN1; SMN2

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed