SCHEMBL2855394

SCHEMBL2855394

CCCc1c(OC(=O)NCc2c(OC)cccc2OC)cnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
MAPK1 P28482 4/20 0.54
MAPT P10636 7/20 0.48
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
MAPK14 Q16539 3/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
NR4A3 Q92570 1/20 0.40

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
SCHEMBL2852347 0.91 MAPT (0.46) ALDH1A1MAPK1MAPTRAB9AGAA
SCHEMBL2852521 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTRAB9ATP53
SCHEMBL2853245 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1MAPTPOLBGAA
SCHEMBL2856416 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTRAB9APOLB
SCHEMBL2863421 0.82 EPHX1 (0.46) ALDH1A1MAPK1MAPTRAB9APOLB
SCHEMBL2860235 0.81 LMNA (0.47) ALDH1A1MAPK1MAPTRAB9APOLB
SCHEMBL2850503 0.81 HPGD (0.48) ALDH1A1MAPK1MAPTRAB9APOLB
SCHEMBL2858207 0.81 HSD17B10 (0.52) ALDH1A1MAPK1MAPTRAB9APOLB
SCHEMBL2859179 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTLMNA
SCHEMBL2852393 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTRAB9APOLB

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