SCHEMBL31362095

SCHEMBL31362095

Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OCc3ccccc3)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.69
MAPT P10636 3/20 0.69
KDM4E B2RXH2 2/20 0.69
MEN1 O00255 2/20 0.69
NR3C1 P04150 2/20 0.69
POLB P06746 2/20 0.69
RECQL P46063 2/20 0.69
RAB9A P51151 2/20 0.69
KMT2A Q03164 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
TLR3 O15455 1/20 0.69
PKM P14618 1/20 0.69
CHEK1 O14757 2/20 0.63
PDGFRA P16234 1/20 0.61
FGFR3 P22607 1/20 0.61
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 1/20 0.60
GMNN O75496 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL11160990 1.00 KIT (0.69) KITMAPTKDM4EMEN1NR3C1
SCHEMBL5309123 0.85 KDM4E (0.76) KITMAPTKDM4EMEN1NR3C1
SCHEMBL26836186 0.84 KIT (0.73) KITMAPTKDM4EMEN1NR3C1
SCHEMBL11210322 0.83 KIT (0.60) KITMAPTKDM4EMEN1NR3C1
SCHEMBL1005968 0.82 KIT (1.00) KITMAPTKDM4EMEN1NR3C1
SCHEMBL11866502 0.82 KIT (0.70) KITMAPTKDM4EMEN1NR3C1
SCHEMBL8821070 0.82 KIT (0.56) KITMAPTKDM4EMEN1NR3C1
SCHEMBL5294321 0.81 KIT (0.69) KITMAPTKDM4EMEN1NR3C1
SCHEMBL9439101 0.80 KIT (0.64) KITMAPTKDM4EMEN1NR3C1
SCHEMBL8821071 0.79 KMT2A (0.66) 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
CN-117551095-B Ellipticine derivative and preparation method and application thereof 中国药科大学 2025-02-07 CN disclosed