SCHEMBL2852950

SCHEMBL2852950

O=C(NCC1CCCCC1)c1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.67
MAPK11 Q15759 5/20 0.67
DDR1 Q08345 2/20 0.67
DDR2 Q16832 2/20 0.67
MAP3K20 Q9NYL2 2/20 0.67
MAP3K2 Q9Y2U5 2/20 0.67
TMEM97 Q5BJF2 1/20 0.67
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TNF P01375 1/20 0.49
KIT P10721 1/20 0.49
MYLK4 Q86YV6 1/20 0.49
RPS6KA6 Q9UK32 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD11B1 P28845 1/20 0.48
P2RX7 Q99572 1/20 0.47
RIPK1 Q13546 1/20 0.47

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
SCHEMBL2853007 0.90 MAPK11 (0.58) MAPK14MAPK11DDR1DDR2MAP3K20
SCHEMBL2856270 0.90 MAPK14 (0.56) MAPK14MAPK11DDR1DDR2MAP3K20
SCHEMBL2854446 0.89 MAPK11 (0.55) MAPK14MAPK11DDR1DDR2MAP3K20
SCHEMBL2853087 0.87 MAPK11 (0.53) MAPK14MAPK11DDR1DDR2MAP3K20
SCHEMBL2856647 0.86 MAPK11 (0.52) MAPK14MAPK11DDR1DDR2MAP3K20
SCHEMBL2856642 0.83 HPGD (0.63) MAPK14MAPK11DDR1DDR2MAP3K20
SCHEMBL2852100 0.82 MAPK11 (0.49) MAPK14MAPK11DDR1DDR2MAP3K20
SCHEMBL2852540 0.82 KDM4E (0.66) MAPK14MAPK11DDR1DDR2MAP3K20
SCHEMBL2855979 0.81 CNR1 (0.57) MAPK14MAPK11DDR1DDR2MAP3K20
Sr-321 SCHEMBL29583231 0.81 MAPK14 (1.00) MAPK14MAPK11DDR1DDR2MAP3K20

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