SCHEMBL2852322

SCHEMBL2852322

CCCc1c(OC(=O)NCCc2c(Cl)cccc2Cl)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.41
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL2860235 0.93 LMNA (0.47) MAPTLMNAPKMALDH1A1GAA
SCHEMBL2856900 0.88 MAPT (0.47) MAPTLMNAPKMNPSR1GAA
SCHEMBL2860461 0.87 TAAR1 (0.54) MAPTLMNAPKMALDH1A1GAA
SCHEMBL2850361 0.87 ABCB1 (0.48) MAPTLMNAPKMALDH1A1GAA
SCHEMBL2856558 0.85 LMNA (0.48) MAPTLMNAPKMALDH1A1NPSR1
SCHEMBL2856513 0.85 TAAR1 (0.51) MAPTLMNAPKMALDH1A1GAA
SCHEMBL2858349 0.85 CNR1 (0.44) MAPTLMNAPKMALDH1A1GAA
SCHEMBL2858371 0.85 SMN1; SMN2 (0.48) MAPTLMNAPKMALDH1A1GAA
SCHEMBL2856893 0.85 MAPT (0.43) MAPTLMNAPKMALDH1A1GAA
SCHEMBL2850486 0.84 MAPT (0.46) MAPTLMNAPKMGAAMAPK14

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