SCHEMBL2861640

SCHEMBL2861640

CCCc1c(OC(=O)NCCc2ccccc2C)cnn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPK1 P28482 3/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.45
MAPK14 Q16539 6/20 0.44
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
NR4A3 Q92570 1/20 0.40

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
SCHEMBL2856893 0.92 MAPT (0.43) ALDH1A1MAPK1MAPTGAAMAPK14
SCHEMBL2858128 0.90 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTGAAMAPK14
SCHEMBL2852521 0.89 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTRAB9A
SCHEMBL2861634 0.87 RAB9A (0.44) ALDH1A1MAPK1MAPTRAB9ALMNA
SCHEMBL2853296 0.85 MAPK14 (0.47) ALDH1A1MAPK1MAPTGAAMAPK14
SCHEMBL2853163 0.84 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTGAAMAPK14
SCHEMBL2860131 0.83 ALDH1A1 (0.46) ALDH1A1MAPTLMNAPOLB
SCHEMBL2860235 0.83 LMNA (0.47) ALDH1A1MAPK1MAPTGAAMAPK14
SCHEMBL2856225 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTGAAMAPK14
SCHEMBL2856513 0.83 TAAR1 (0.51) ALDH1A1MAPK1MAPTGAARAB9A

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