SCHEMBL2854499

SCHEMBL2854499

CCCc1c(C(=O)NC(Cc2ccccc2)C(=O)OC)cnn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
MAPT P10636 5/20 0.58
MAPK1 P28482 4/20 0.56
GAA P10253 2/20 0.54
MAPK14 Q16539 3/20 0.53
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.50
GFER P55789 1/20 0.50
TACR3 P29371 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL2852944 0.92 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1GAAMAPK14
SCHEMBL2850357 0.90 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1GAAMAPK14
SCHEMBL2860615 0.88 ALDH1A1 (0.58) ALDH1A1MAPTMAPK1GAAMAPK14
SCHEMBL2860988 0.85 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1GAAMAPK14
SCHEMBL2854412 0.84 MEN1 (0.53) ALDH1A1MAPTMAPK1
SCHEMBL2875267 0.82 ALDH1A1 (0.60) ALDH1A1MAPTGAAMAPK14POLB
SCHEMBL2856793 0.76 KDM4E (0.53) ALDH1A1MAPTPOLBTACR3KDM4E
SCHEMBL2854158 0.75 ALDH1A1 (0.61) ALDH1A1MAPTMAPK1GAAMAPK14
SCHEMBL2326321 0.74 ALDH1A1 (0.68) ALDH1A1MAPTMAPK1GAAMAPK14
SCHEMBL18017132 0.74 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1GAAMAPK14

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 2 patents. 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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed