SCHEMBL2856261

SCHEMBL2856261

CCCc1c(OC(=O)Nc2ccc(F)c(F)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.43
MAPK14 Q16539 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNJ6 P48051 1/20 0.39

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
SCHEMBL2852672 0.91 MAPT (0.60) MAPTLMNAPKMRAB9AMAPK14
SCHEMBL2860462 0.86 MAPT (0.55) MAPTLMNAPKMRAB9AMAPK14
SCHEMBL2853491 0.86 ALDH1A1 (0.55) MAPTLMNAPKMRAB9AMAPK14
SCHEMBL2857246 0.85 MAPT (0.57) MAPTLMNAPKMRAB9AMAPK14
SCHEMBL2857236 0.85 MAPT (0.54) MAPTLMNAPKMRAB9AMAPK14
SCHEMBL2852439 0.85 MAPT (0.56) MAPTLMNAPKMRAB9AMAPK14
SCHEMBL2861253 0.84 MAPT (0.53) MAPTLMNAPKMRAB9AMAPK14
SCHEMBL2856552 0.84 MAPT (0.53) MAPTLMNAPKMRAB9ATSHR
SCHEMBL2853390 0.84 CCR1 (0.49) MAPTLMNAPKMMEN1KMT2A
SCHEMBL2852391 0.83 MAPT (0.52) MAPTLMNAPKMRAB9AMAPK14

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