SCHEMBL2854490

SCHEMBL2854490

CCCc1c(C(=O)NC(CC)c2ccncc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
GAA P10253 2/20 0.50
CCR1 P32246 6/20 0.49
MAPK14 Q16539 1/20 0.49
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
PDE2A O00408 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL2856202 0.83 CCR1 (0.55) MAPTCCR1ALDH1A1CYP3A4PDE2A
SCHEMBL2850360 0.82 MAPT (0.61) MAPTGAAMAPK14ALDH1A1MAPK1
SCHEMBL2852031 0.76 PDE2A (0.47) ALDH1A1LMNAPDE2A
SCHEMBL2079637 0.75 NR4A3 (0.59) MAPTGAAMAPK14ALDH1A1MAPK1
SCHEMBL1403169 0.75 MAPT (0.54) MAPTGAAMAPK14ALDH1A1MAPK1
SCHEMBL12264440 0.73 CCR1 (0.59) MAPTCCR1ALDH1A1CYP3A4PDE2A
SCHEMBL2402871 0.73 CCR1 (0.59) MAPTCCR1ALDH1A1CYP3A4PDE2A
SCHEMBL5927588 0.73 ALDH1A1 (0.44) MAPTGAACCR1MAPK14ALDH1A1
SCHEMBL1403425 0.73 HSD11B1 (0.56) MAPTGAAMAPK14ALDH1A1MAPK1
SCHEMBL2854493 0.73 GPR142 (0.56) MAPTGAAMAPK14ALDH1A1MAPK1

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 2 patents. 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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed