SCHEMBL2852492

SCHEMBL2852492

CCCc1c(OC(=O)Nc2ccccc2C)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPK14 Q16539 6/20 0.53
MAPK1 P28482 4/20 0.53
RAB9A P51151 3/20 0.51
PKM P14618 2/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL2856274 0.92 MAPT (0.49) ALDH1A1MAPK14MAPK1RAB9APKM
SCHEMBL2860824 0.88 LMNA (0.57) ALDH1A1MAPK14MAPK1RAB9APKM
SCHEMBL2854755 0.88 ALDH1A1 (0.56) ALDH1A1MAPK14MAPK1RAB9APKM
SCHEMBL2856997 0.86 ALDH1A1 (0.57) ALDH1A1MAPK14MAPK1RAB9APKM
SCHEMBL2853459 0.85 MAPT (0.52) ALDH1A1MAPK14MAPK1RAB9APKM
SCHEMBL2857472 0.85 ALDH1A1 (0.50) ALDH1A1MAPK14MAPK1RAB9APKM
SCHEMBL2859086 0.85 LMNA (0.48) ALDH1A1MAPK14MAPK1RAB9APKM
SCHEMBL2856275 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1RAB9APKMMAPT
SCHEMBL2850383 0.83 KMT2A (0.47) ALDH1A1MAPK14MAPK1RAB9APKM
SCHEMBL2861640 0.82 ALDH1A1 (0.45) ALDH1A1MAPK14MAPK1RAB9APKM

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