SCHEMBL2856348

SCHEMBL2856348

CCCc1c(OC(=O)NCCc2ccccc2F)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
CNR1 P21554 1/20 0.45
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 4/20 0.40
HIF1A Q16665 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 6/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
TP53 P04637 1/20 0.38

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 0.90 MAPT (0.43) MAPTCNR1LMNAPKMGAA
SCHEMBL2860231 0.89 CNR1 (0.50) MAPTCNR1LMNAPKMMAPK1
SCHEMBL2860461 0.87 TAAR1 (0.54) MAPTCNR1LMNAPKMGAA
SCHEMBL2856900 0.85 MAPT (0.47) MAPTCNR1LMNAPKMGAA
SCHEMBL2848346 0.85 MAPT (0.55) MAPTCNR1LMNAPKMTAAR1
SCHEMBL2856558 0.85 LMNA (0.48) MAPTCNR1LMNAPKMGAA
SCHEMBL2856513 0.85 TAAR1 (0.51) MAPTLMNAPKMGAAMAPK1
SCHEMBL2858012 0.84 CNR1 (0.46) MAPTCNR1MAPK1HIF1ATAAR1
SCHEMBL2858371 0.84 SMN1; SMN2 (0.48) MAPTCNR1LMNAPKMGAA
SCHEMBL2852322 0.84 MAPT (0.44) MAPTCNR1LMNAPKMGAA

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