SCHEMBL2852540

SCHEMBL2852540

O=C(NC1CCCC1)c1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
POLB P06746 3/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPK11 Q15759 3/20 0.58
MAPK14 Q16539 2/20 0.58
DDR1 Q08345 1/20 0.58
DDR2 Q16832 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
MAP3K20 Q9NYL2 1/20 0.58
MAP3K2 Q9Y2U5 1/20 0.58
SPR P35270 2/20 0.58
HSD11B1 P28845 2/20 0.56
FPR1 P21462 1/20 0.54
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL10365365 0.95 ALDH1A1 (0.69) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL2860624 0.89 SPR (0.57) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL2851938 0.88 SPR (0.56) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL2854367 0.85 SPR (0.56) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL2852972 0.85 SPR (0.52) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL10364638 0.83 NPC1 (0.59) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL10366974 0.83 HSD11B1 (0.56) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL10364982 0.83 KDM4E (0.53) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL10367005 0.83 KDM4E (0.53) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL2852950 0.82 MAPK14 (0.67) KDM4EALDH1A1POLBMAPTSMN1; SMN2

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 1 patent. 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 disclosed