SCHEMBL4066455

SCHEMBL4066455

CN(C)CCCOc1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTR7 P34969 2/20 0.45
HRH1 P35367 2/20 0.44
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL7368255 0.85 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL6042680 0.77 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2HRH1HTR1B
SCHEMBL7645372 0.76 KMT2A (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL149188 0.75 KMT2A (0.48) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7131872 0.74 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HTR7HRH1
SCHEMBL9370768 0.74 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2GAAADRB2
SCHEMBL7225494 0.73 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HTR7HRH1
SCHEMBL7944215 0.72 HTR7 (0.70) KDM4EALDH1A1SMN1; SMN2HTR7ADRB2
SCHEMBL7646422 0.72 GUSB (0.44) KDM4EALDH1A1RXFP1
SCHEMBL7276461 0.71 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2GAARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761268-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-07-08 EP disclosed
EP-1768983-A2 FUSED HETEROCYCLIC KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-04 EP disclosed
EP-1761268-A2 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-03-14 EP disclosed
WO-2006004636-A2 FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
WO-2006004833-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed