SCHEMBL6204868

SCHEMBL6204868

Cc1c(OC(=O)O)cnn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
RAB9A P51151 11/20 0.53
NPC1 O15118 10/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
SLC9A1 P19634 1/20 0.50
SLC9A2 Q9UBY0 1/20 0.50
PTGS2 P35354 2/20 0.49
PKM P14618 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL1195017 0.89 MAPK1 (0.60) MAPK1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2854348 0.83 RAB9A (0.54) MAPK1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10969941 0.81 RIPK2 (0.58) MAPK1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2861261 0.80 HPGD (0.64) MAPK1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5325459 0.78 ALDH1A1 (0.53) MAPK1RAB9AMAPTALDH1A1LMNA
SCHEMBL2848335 0.78 ATM (0.54) MAPK1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2852350 0.78 NPC1 (0.53) MAPK1RAB9ANPC1MAPTHPGD
SCHEMBL2854815 0.78 MEN1 (0.50) MAPK1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2852507 0.77 NPC1 (0.51) RAB9ANPC1MAPTSMN1; SMN2NFKB1
SCHEMBL14989237 0.77 MAPK13 (0.44) MAPK1RAB9ANPC1MAPTSMN1; SMN2

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed