SCHEMBL2856997

SCHEMBL2856997

CCCc1c(OC(=O)Nc2ccccc2)cnn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
MAPT P10636 6/20 0.57
RAB9A P51151 1/20 0.55
MAPK1 P28482 4/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.47
MAPK14 Q16539 4/20 0.47
NR4A3 Q92570 1/20 0.46

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
SCHEMBL2854719 0.92 MAPT (0.55) ALDH1A1MAPTRAB9AMAPK1GAA
SCHEMBL2853491 0.92 ALDH1A1 (0.55) ALDH1A1MAPTRAB9AMAPK1GAA
SCHEMBL2850541 0.90 MAPT (0.58) ALDH1A1MAPTRAB9AMAPK1GAA
SCHEMBL2858605 0.90 MAPT (0.53) ALDH1A1MAPTRAB9AMAPK1GAA
SCHEMBL2853414 0.90 MAPK14 (0.55) ALDH1A1MAPTRAB9AMAPK1GAA
SCHEMBL2858440 0.90 MAPT (0.70) ALDH1A1MAPTRAB9AMAPK1GAA
SCHEMBL2856278 0.87 MAPT (0.56) ALDH1A1MAPTRAB9AMAPK1GAA
SCHEMBL2850371 0.87 MAPT (0.72) ALDH1A1MAPTRAB9AGAAPOLB
SCHEMBL2852555 0.87 MAPK14 (0.54) ALDH1A1MAPTRAB9AMAPK1GAA
SCHEMBL2860467 0.87 MAPK14 (0.54) ALDH1A1MAPTRAB9AMAPK1GAA

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