SCHEMBL2852547

SCHEMBL2852547

CCCc1c(OC(=O)NCc2cccc(-c3ccccc3)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
CCR1 P32246 4/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
EPHX1 P07099 2/20 0.43
SMO Q99835 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCB1 P08183 1/20 0.40
MAPK14 Q16539 1/20 0.40
SLC5A1 P13866 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL2863421 0.94 EPHX1 (0.46) LMNAPKMMAPTGAAEPHX1
SCHEMBL2852375 0.86 CCR1 (0.63) LMNACCR1MAPTGAAMEN1
SCHEMBL2860461 0.85 TAAR1 (0.54) LMNAPKMMAPTGAANPC1
SCHEMBL2857965 0.83 TAAR1 (0.47) LMNAPKMMAPTGAAADAMTS5
SCHEMBL2856294 0.83 CCR1 (0.49) CCR1EPHX1ADAMTS5ABCB1ALDH1A1
SCHEMBL2850361 0.83 ABCB1 (0.48) LMNAPKMMAPTGAAMEN1
SCHEMBL2860099 0.83 TAAR1 (0.46) LMNAPKMMAPTGAAMEN1
SCHEMBL2852347 0.81 MAPT (0.46) LMNAPKMCCR1MAPTGAA
SCHEMBL2856513 0.81 TAAR1 (0.51) LMNAPKMMAPTGAARAB9A
SCHEMBL2854459 0.81 CCR1 (0.54) CCR1MAPTMAPK14

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