SCHEMBL2853007

SCHEMBL2853007

O=C(NCC1CCCCC1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 4/20 0.58
MAPK14 Q16539 4/20 0.58
DDR1 Q08345 2/20 0.58
DDR2 Q16832 2/20 0.58
MAP3K20 Q9NYL2 2/20 0.58
MAP3K2 Q9Y2U5 2/20 0.58
TMEM97 Q5BJF2 1/20 0.58
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
P2RX7 Q99572 1/20 0.48
TRPC3 Q13507 1/20 0.48
HDAC6 Q9UBN7 4/20 0.47
MLYCD O95822 1/20 0.47
HSD11B1 P28845 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
HDAC3 O15379 2/20 0.43

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 0.92 MAPK14 (0.56) MAPK11MAPK14DDR1DDR2MAP3K20
SCHEMBL2854446 0.91 MAPK11 (0.55) MAPK11MAPK14DDR1DDR2MAP3K20
SCHEMBL2852950 0.90 MAPK14 (0.67) MAPK11MAPK14DDR1DDR2MAP3K20
SCHEMBL2853087 0.88 MAPK11 (0.53) MAPK11MAPK14DDR1DDR2MAP3K20
SCHEMBL2856647 0.87 MAPK11 (0.52) MAPK11MAPK14DDR1DDR2MAP3K20
SCHEMBL2860624 0.82 SPR (0.57) MAPK11MAPK14DDR1DDR2MAP3K20
SCHEMBL2854430 0.80 MAPK11 (0.47) MAPK11MAPK14DDR1DDR2MAP3K20
SCHEMBL2850254 0.79 CNR2 (0.52) MAPK11MAPK14DDR1DDR2MAP3K20
SCHEMBL2852100 0.77 MAPK11 (0.49) MAPK11MAPK14DDR1DDR2MAP3K20
SCHEMBL2850153 0.77 KDM4E (0.63) MAPK11MAPK14DDR1DDR2MAP3K20

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