SCHEMBL2853296

SCHEMBL2853296

CCCc1c(OC(=O)NCCc2ccc(C)c(C)c2)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.47
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
CES2 O00748 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2855797 0.91 CNR1 (0.47) MAPK14MAPTGAALMNAPKM
SCHEMBL2859179 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTLMNA
SCHEMBL2861570 0.88 LMNA (0.47) MAPK14ALDH1A1MAPK1MAPTGAA
SCHEMBL2856225 0.86 ALDH1A1 (0.44) MAPK14ALDH1A1MAPK1MAPTGAA
SCHEMBL2856513 0.86 TAAR1 (0.51) ALDH1A1MAPK1MAPTGAALMNA
SCHEMBL2856518 0.86 ALDH1A1 (0.48) MAPK14ALDH1A1MAPK1MAPTGAA
SCHEMBL2860396 0.86 GAA (0.52) ALDH1A1MAPK1MAPTGAALMNA
SCHEMBL2861640 0.85 ALDH1A1 (0.45) MAPK14ALDH1A1MAPK1MAPTGAA
SCHEMBL2852508 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTGAALMNA
SCHEMBL2857467 0.85 ALDH1A1 (0.51) MAPK14ALDH1A1MAPK1MAPTGAA

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 claimed