SCHEMBL2856101

SCHEMBL2856101

CCCc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
ALDH1A1 P00352 8/20 0.53
MAPT P10636 5/20 0.53
MAPK1 P28482 4/20 0.53
GAA P10253 2/20 0.53
CCR1 P32246 1/20 0.52
MAPK14 Q16539 5/20 0.51
MAPK11 Q15759 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.49

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
SCHEMBL5995027 0.84 HPGD (0.57) HPGDALDH1A1MAPTMAPK1GAA
SCHEMBL2858114 0.84 HPGD (0.57) HPGDALDH1A1MAPTMAPK1GAA
SCHEMBL2852403 0.83 CACNA1G (0.43) HPGDALDH1A1MAPTMAPK1GAA
SCHEMBL3971476 0.80 ALDH1A1 (0.58) HPGDALDH1A1MAPTMAPK1GAA
SCHEMBL2857376 0.79 ALDH1A1 (0.67) HPGDALDH1A1MAPTMAPK1GAA
SCHEMBL3972889 0.78 HPGD (0.51) HPGDALDH1A1MAPTMAPK1GAA
SCHEMBL2856222 0.78 MAPT (0.67) HPGDALDH1A1MAPTMAPK1GAA
SCHEMBL3970328 0.78 ALDH1A1 (0.55) HPGDALDH1A1MAPTMAPK1GAA
SCHEMBL4670702 0.77 ALDH1A1 (0.56) HPGDALDH1A1MAPTMAPK1GAA
SCHEMBL2855062 0.77 CCR1 (0.65) HPGDALDH1A1MAPTCCR1MAPK14

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