SCHEMBL2857883

SCHEMBL2857883

CCCc1c(OC(=O)Nc2cccc(C(=O)N(CC)CC)c2)cnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 3/20 0.43
MAPK14 Q16539 3/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 3/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 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
SCHEMBL2856997 0.85 ALDH1A1 (0.57) MAPTGAAALDH1A1RAB9AMAPK14
SCHEMBL2860103 0.85 NR3C1 (0.44) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2860467 0.81 MAPK14 (0.54) MAPTGAAALDH1A1RAB9AMAPK14
SCHEMBL2856278 0.81 MAPT (0.56) MAPTGAAALDH1A1RAB9AMAPK14
SCHEMBL2852555 0.81 MAPK14 (0.54) MAPTGAAALDH1A1RAB9AMAPK14
SCHEMBL2853491 0.79 ALDH1A1 (0.55) MAPTGAAALDH1A1RAB9AMAPK14
SCHEMBL2854719 0.79 MAPT (0.55) MAPTGAAALDH1A1RAB9AMAPK14
SCHEMBL2860210 0.77 NR3C1 (0.42) MAPTRAB9ASMN1; SMN2
SCHEMBL2854520 0.77 ALDH1A1 (0.52) MAPTGAAALDH1A1RAB9AMAPK14
SCHEMBL2857911 0.77 MAPT (0.47) MAPTGAAALDH1A1RAB9AMAPK14

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