SCHEMBL10313745

SCHEMBL10313745

NCC(=O)c1cc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.67
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
TSHR P16473 2/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 8/20 0.55
HPGD P15428 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 4/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
POLB P06746 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.53

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
SCHEMBL10155752 0.85 FLT3 (0.67) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL28117952 0.85 FLT3 (0.67) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL3032755 0.84 FLT3 (0.61) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL243970 0.84 FLT3 (0.65) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL6032072 0.84 FLT3 (0.65) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL14432867 0.84 FLT3 (0.65) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL5158485 0.82 FLT3 (0.62) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL2560643 0.82 FLT3 (0.62) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL8910943 0.81 FLT3 (0.61) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL2327568 0.81 LMNA (0.66) FLT3NPC1RAB9ATSHRMAPK1

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-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 EP disclosed