SCHEMBL4736088

SCHEMBL4736088

Nc1ncc2c(n1)-c1ccccc1CCC2

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.87
ALDH1A1 P00352 2/20 0.87
POLB P06746 1/20 0.87
IKBKB O14920 2/20 0.52
HTT P42858 2/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPT P10636 1/20 0.51
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 2/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
GAA P10253 1/20 0.49
BCHE P06276 1/20 0.49
HRH4 Q9H3N8 3/20 0.48
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL4990063 0.93 KDM4E (1.00) KDM4EALDH1A1POLBIKBKBHTT
SCHEMBL29929816 0.93 KDM4E (1.00) KDM4EALDH1A1POLBIKBKBHTT
SCHEMBL1509445 0.80 KDM4E (0.57) KDM4EALDH1A1POLBIKBKBHTT
SCHEMBL15759146 0.80 KDM4E (0.57) KDM4EALDH1A1POLBIKBKBHTT
SCHEMBL10202581 0.78 KDM4E (0.54) KDM4EALDH1A1POLBIKBKBHTT
SCHEMBL13262115 0.76 KDM4E (0.53) KDM4EALDH1A1POLBIKBKBHTT
SCHEMBL14197519 0.75 HRH4 (0.60) KDM4EALDH1A1POLBMAPTBCHE
SCHEMBL13591828 0.75 KDM4E (0.51) KDM4EALDH1A1POLBHTTHSP90AA1
SCHEMBL10670682 0.74 KDM4E (0.67) KDM4EALDH1A1POLBHTTHSP90AA1
SCHEMBL11296744 0.74 IKBKB (0.73) KDM4EALDH1A1POLBIKBKBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 WO claimed
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed