SCHEMBL2852393

SCHEMBL2852393

CCCc1c(OC(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 1/20 0.42
NR4A3 Q92570 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
SMO Q99835 1/20 0.40
PKM P14618 1/20 0.40
MAPK14 Q16539 2/20 0.40
POLB P06746 1/20 0.39
FAAH O00519 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
SCHEMBL2852403 0.85 CACNA1G (0.43) ALDH1A1MAPK1MAPTHPGDNR4A3
SCHEMBL2858114 0.83 HPGD (0.57) ALDH1A1MAPK1MAPTHPGDGAA
SCHEMBL2863421 0.82 EPHX1 (0.46) ALDH1A1MAPK1MAPTHPGDNR4A3
SCHEMBL2856416 0.82 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTNR4A3RAB9A
SCHEMBL2858589 0.82 ALDH1A1 (0.45) ALDH1A1MAPTHPGDLMNAMAPK14
SCHEMBL2855497 0.81 MAPT (0.52) ALDH1A1MAPK1MAPTRAB9ALMNA
SCHEMBL2855394 0.80 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTNR4A3RAB9A
SCHEMBL2854459 0.79 CCR1 (0.54) MAPTMAPK14FAAH
SCHEMBL2850503 0.79 HPGD (0.48) ALDH1A1MAPK1MAPTHPGDRAB9A
SCHEMBL2858207 0.79 HSD17B10 (0.52) ALDH1A1MAPK1MAPTHPGDRAB9A

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