SCHEMBL2856513

SCHEMBL2856513

CCCc1c(OC(=O)NCCc2ccc(Cl)cc2)cnn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.51
LMNA P02545 3/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 3/20 0.44
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL2860461 0.96 TAAR1 (0.54) TAAR1LMNAPKMTP53SMN1; SMN2
SCHEMBL2856900 0.95 MAPT (0.47) TAAR1LMNAPKMTP53SMN1; SMN2
SCHEMBL2857882 0.90 MAPT (0.43) TAAR1LMNAPKMTP53SMN1; SMN2
SCHEMBL2848346 0.90 MAPT (0.55) TAAR1LMNAPKMTP53MAPT
SCHEMBL2857965 0.90 TAAR1 (0.47) TAAR1LMNAPKMTP53MAPT
SCHEMBL2856225 0.90 ALDH1A1 (0.44) TAAR1LMNAPKMTP53MAPT
SCHEMBL2860396 0.89 GAA (0.52) TAAR1LMNAPKMSMN1; SMN2MAPT
SCHEMBL2860099 0.89 TAAR1 (0.46) TAAR1LMNAPKMTP53MAPT
SCHEMBL2861570 0.89 LMNA (0.47) LMNAPKMMAPTGAAALDH1A1
SCHEMBL2850486 0.89 MAPT (0.46) TAAR1LMNAPKMMAPTGAA

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