SCHEMBL12864579

SCHEMBL12864579

Cc1ccc(-c2nc3cc(-c4ccc5[nH]c(C)nc5c4)ccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
NPBWR1 P48145 2/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CHEK2 O96017 3/20 0.49

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
SCHEMBL13287104 0.94 MEN1 (0.68) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL34856 0.94 MEN1 (0.68) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13041694 0.94 MEN1 (0.68) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13041697 0.92 NPBWR1 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9986883 0.92 CHEK2 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL34960 0.90 NPC1 (0.60) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL11911270 0.89 HSPD1 (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13286776 0.89 NPC1 (0.59) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL26357001 0.88 NPC1 (0.67) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL34880 0.87 MEN1 (0.70) NPC1RAB9AMEN1KMT2APOLB

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
US-20110033759-A1 METHOD FOR OPERATING A FUEL CELL BASF SE (DE) 2011-02-10 US disclosed