SCHEMBL2861285

SCHEMBL2861285

CCCc1c(OC(=O)N(CC)Cc2ccncc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
GPR142 Q7Z601 1/20 0.41
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2857391 0.85 ALDH1A1 (0.48) MAPTLMNAPKMMAPK14ALDH1A1
SCHEMBL2854493 0.84 GPR142 (0.56) MAPTLMNAPKMGPR142MAPK14
SCHEMBL2850486 0.82 MAPT (0.46) MAPTLMNAPKMMAPK14MAPK1
SCHEMBL2857174 0.81 LMNA (0.47) MAPTLMNAPKMMAPK14ALDH1A1
SCHEMBL2852439 0.81 MAPT (0.56) MAPTLMNAPKMMAPK14ALDH1A1
SCHEMBL2857852 0.79 LMNA (0.45) MAPTLMNAPKMMAPK14ALDH1A1
SCHEMBL2854702 0.77 USP2 (0.42) MAPTLMNAALDH1A1MAPK1MRGPRX1
SCHEMBL2852672 0.76 MAPT (0.60) MAPTLMNAPKMMAPK14ALDH1A1
SCHEMBL2856900 0.76 MAPT (0.47) MAPTLMNAPKMMAPK14NPSR1
SCHEMBL2856483 0.74 ALDH1A1 (0.45) MAPTLMNAALDH1A1MAPK1HSP90AA1

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