SCHEMBL2857636

SCHEMBL2857636

O=C(NCc1ccc(Cl)c(Cl)c1)c1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CCR1 P32246 7/20 0.58
MAPK11 Q15759 2/20 0.57
MAPK14 Q16539 2/20 0.57
DDR1 Q08345 1/20 0.57
DDR2 Q16832 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
MAP3K20 Q9NYL2 1/20 0.57
MAP3K2 Q9Y2U5 1/20 0.57
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 1/20 0.52
TRPC3 Q13507 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
DGAT2 Q96PD7 2/20 0.49
P2RX7 Q99572 1/20 0.48

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
SCHEMBL2854425 0.92 CCR1 (0.60) KDM4EALDH1A1CCR1MAPK11MAPK14
SCHEMBL2858070 0.91 CCR1 (0.57) KDM4EALDH1A1CCR1MAPK11MAPK14
SCHEMBL2860317 0.91 CCR1 (0.62) KDM4EALDH1A1CCR1MAPK11MAPK14
SCHEMBL2855315 0.88 KDM4E (0.65) KDM4EALDH1A1CCR1MAPK11MAPK14
SCHEMBL2855705 0.87 CCR1 (0.56) KDM4EALDH1A1CCR1MAPK11MAPK14
SCHEMBL2860213 0.87 KDM4E (0.73) KDM4EALDH1A1CCR1MAPK11MAPK14
SCHEMBL2860444 0.86 CCR1 (0.60) KDM4EALDH1A1CCR1MAPK11MAPK14
SCHEMBL2852102 0.85 ALDH1A1 (0.67) KDM4EALDH1A1CCR1MAPK11MAPK14
SCHEMBL2861147 0.85 KDM4E (0.67) KDM4EALDH1A1CCR1MAPK11MAPK14
SCHEMBL2850536 0.84 CCR1 (0.52) CCR1MAPK11MAPK14DDR1DDR2

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