SCHEMBL7004491

SCHEMBL7004491

Cc1cc2c(cc1-c1ccc3ccccc3n1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 5/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
LMNA P02545 3/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
POLB P06746 2/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
GLA P06280 1/20 0.46
AR P10275 6/20 0.45
CYP1A2 P05177 3/20 0.41

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
SCHEMBL7005467 0.91 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31038131 0.83 ALDH1A1 (0.58) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15216241 0.76 AR (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29746267 0.76 KDM4E (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7004578 0.76 KDM4E (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12319823 0.73 AR (0.57) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18774770 0.73 AR (0.57) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL727684 0.73 MAOA (0.53) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1905169 0.72 MAOA (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4788772 0.72 AR (0.64) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed