SCHEMBL2860464

SCHEMBL2860464

Cc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.64
KMT2A Q03164 2/20 0.63
MAPK11 Q15759 4/20 0.62
MAPK14 Q16539 4/20 0.62
DDR1 Q08345 1/20 0.62
DDR2 Q16832 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
MAP3K20 Q9NYL2 1/20 0.62
MAP3K2 Q9Y2U5 1/20 0.62
FPR1 P21462 1/20 0.59
MAPT P10636 2/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
CCR1 P32246 3/20 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
SCHEMBL2860213 0.92 KDM4E (0.73) KDM4EALDH1A1HPGDKMT2AMAPK11
SCHEMBL2857342 0.90 CCR1 (0.60) KDM4EALDH1A1HPGDKMT2AMAPK11
SCHEMBL2852102 0.90 ALDH1A1 (0.67) KDM4EALDH1A1HPGDKMT2AMAPK11
SCHEMBL2861147 0.90 KDM4E (0.67) KDM4EALDH1A1HPGDKMT2AMAPK11
SCHEMBL2855315 0.89 KDM4E (0.65) KDM4EALDH1A1HPGDMAPK11MAPK14
SCHEMBL2854390 0.88 KDM4E (0.61) KDM4EALDH1A1HPGDKMT2AMAPK11
SCHEMBL2860538 0.88 KDM4E (0.61) KDM4EALDH1A1HPGDKMT2AMAPK11
SCHEMBL2850153 0.85 KDM4E (0.63) KDM4EALDH1A1HPGDMAPK11MAPK14
SCHEMBL2852896 0.85 KDM4E (0.63) KDM4EALDH1A1HPGDMAPK11MAPK14
SCHEMBL2852015 0.84 CCR1 (0.63) KDM4EALDH1A1HPGDKMT2AMAPK11

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