SCHEMBL2853087

SCHEMBL2853087

COc1ccc(-n2ncc(C(=O)NCC3CCCCC3)c2C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 3/20 0.53
MAPK14 Q16539 3/20 0.53
DDR1 Q08345 1/20 0.53
DDR2 Q16832 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
MAP3K20 Q9NYL2 1/20 0.53
MAP3K2 Q9Y2U5 1/20 0.53
POLB P06746 1/20 0.52
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 5/20 0.47
LMNA P02545 2/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
P2RX7 Q99572 1/20 0.46
TRPC3 Q13507 1/20 0.46
DGAT2 Q96PD7 1/20 0.45
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL2856270 0.88 MAPK14 (0.56) MAPK11MAPK14DDR1DDR2TMEM97
SCHEMBL2853007 0.88 MAPK11 (0.58) MAPK11MAPK14DDR1DDR2TMEM97
SCHEMBL2854446 0.87 MAPK11 (0.55) MAPK11MAPK14DDR1DDR2TMEM97
SCHEMBL2852950 0.87 MAPK14 (0.67) MAPK11MAPK14DDR1DDR2TMEM97
SCHEMBL2927664 0.86 CTSL (0.58) POLBKDM4EALDH1A1TP53LMNA
SCHEMBL2854367 0.84 SPR (0.56) MAPK11MAPK14DDR1DDR2TMEM97
SCHEMBL2856647 0.83 MAPK11 (0.52) MAPK11MAPK14DDR1DDR2TMEM97
SCHEMBL10366447 0.83 TRPC3 (0.62) MAPK14POLBKDM4EALDH1A1TP53
SCHEMBL10364511 0.81 HSD11B1 (0.53) MAPK14POLBKDM4EALDH1A1LMNA
SCHEMBL10367050 0.80 ALDH1A1 (0.55) MAPK14POLBKDM4EALDH1A1LMNA

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