SCHEMBL9737173

SCHEMBL9737173

COc1nccc2c(C)c3[nH]c4ccncc4c3cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 2/20 0.53
NR3C1 P04150 2/20 0.53
POLB P06746 2/20 0.53
RECQL P46063 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TLR3 O15455 1/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL612838 0.82 KIT (0.59) KITMAPTKDM4EMEN1NR3C1
SCHEMBL2311050 0.82 KIT (0.49) KITMAPTKDM4EMEN1NR3C1
SCHEMBL2313733 0.82 MAPT (0.49) KITMAPTKDM4EMEN1NR3C1
SCHEMBL9738319 0.76 MAPT (0.56) MAPTACHECHUKMAOABRD4
SCHEMBL613815 0.74 MAOA (0.54) KITMAPTKDM4ENPSR1ALDH1A1
SCHEMBL2311605 0.72 KIT (0.54) KITMAPTKDM4EMEN1NR3C1
SCHEMBL2308791 0.71 KIT (0.55) KITMAPTKDM4EMEN1NR3C1
SCHEMBL2311857 0.71 KIT (0.65) KITMAPTKDM4EMEN1NR3C1
SCHEMBL2308783 0.71 KIT (0.59) KITMAPTKDM4EMEN1NR3C1
SCHEMBL24276887 0.70 KIT (0.67) KITMAPTKDM4EMEN1NR3C1

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-5079363-A From an alkoxypyridine and an indole derivative, antitumor and antileukemia agents SANOFI (FR) 1992-01-07 US disclosed