SCHEMBL2854520

SCHEMBL2854520

CCCc1c(OC(=O)Nc2ccc(-c3ccccc3)c(OC)c2)cnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 6/20 0.52
MAPK1 P28482 3/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 2/20 0.43
MAPK14 Q16539 3/20 0.43
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 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
SCHEMBL2856997 0.84 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1RAB9AGAA
SCHEMBL2861123 0.82 NPC1 (0.47) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL2854719 0.81 MAPT (0.55) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL2853491 0.81 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1RAB9AGAA
SCHEMBL2858605 0.80 MAPT (0.53) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL2850541 0.80 MAPT (0.58) ALDH1A1MAPTMAPK1RAB9AGAA
SCHEMBL2857911 0.80 MAPT (0.47) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL2858440 0.79 MAPT (0.70) ALDH1A1MAPTMAPK1RAB9AGAA
SCHEMBL2853414 0.79 MAPK14 (0.55) ALDH1A1MAPTMAPK1RAB9AGAA
SCHEMBL2856278 0.79 MAPT (0.56) ALDH1A1MAPTMAPK1RAB9AGAA

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