SCHEMBL2850153

SCHEMBL2850153

O=C(NCc1ccccc1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPK14 Q16539 4/20 0.61
MAPK11 Q15759 3/20 0.61
DDR1 Q08345 1/20 0.61
DDR2 Q16832 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
MAP3K20 Q9NYL2 1/20 0.61
MAP3K2 Q9Y2U5 1/20 0.61
HPGD P15428 1/20 0.59
CCR1 P32246 9/20 0.57
MAPT P10636 3/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.52
TRPC3 Q13507 1/20 0.51

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
SCHEMBL2861147 0.95 KDM4E (0.67) KDM4EALDH1A1MAPK14MAPK11DDR1
SCHEMBL2860213 0.93 KDM4E (0.73) KDM4EALDH1A1MAPK14MAPK11DDR1
SCHEMBL2852896 0.91 KDM4E (0.63) KDM4EALDH1A1MAPK14MAPK11DDR1
SCHEMBL2860195 0.90 CCR1 (0.70) KDM4EALDH1A1HPGDCCR1LMNA
SCHEMBL2852015 0.90 CCR1 (0.63) KDM4EALDH1A1MAPK14MAPK11DDR1
SCHEMBL2850548 0.90 CCR1 (0.61) KDM4EALDH1A1MAPK14MAPK11DDR1
SCHEMBL2855580 0.89 CCR1 (0.62) KDM4EALDH1A1MAPK14MAPK11DDR1
SCHEMBL2858927 0.89 KDM4E (0.61) KDM4EALDH1A1MAPK14MAPK11DDR1
SCHEMBL2857071 0.89 CCR1 (0.57) KDM4EALDH1A1MAPK14MAPK11DDR1
SCHEMBL2859642 0.88 CCR1 (0.73) KDM4EALDH1A1MAPK14MAPK11DDR1

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