SCHEMBL29699386

SCHEMBL29699386

COc1cccc(C=C2C(=O)Nc3cccc(C)c32)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.60
PDPK1 O15530 1/20 0.54
KDR P35968 1/20 0.54
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDGFRB P09619 2/20 0.52
ERBB2 P04626 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PIM1 P11309 1/20 0.51
AKR1B1 P15121 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
GAA P10253 1/20 0.51
IGF1R P08069 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
FLT3 P36888 1/20 0.50

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
SCHEMBL7134866 0.83 LRRK2 (0.50) RETPOLBMEN1KMT2ANPC1
SCHEMBL14448881 0.82 PLK4 (0.69) RETKDRMEN1KMT2APDGFRB
SCHEMBL5476084 0.82 PLK4 (0.69) RETKDRMEN1KMT2APDGFRB
SCHEMBL5476091 0.82 PLK4 (0.69) RETKDRMEN1KMT2APDGFRB
SCHEMBL14519128 0.81 MDM2 (0.56) RETPDPK1KDRPOLBERBB2
SCHEMBL16543016 0.79 MEN1 (0.76) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL1300710 0.79 TLK2 (0.65) RETPDPK1KDRPOLBMEN1
SCHEMBL1300713 0.79 TLK2 (0.65) RETPDPK1KDRPOLBMEN1
SCHEMBL6389814 0.79 RET (0.56) RETPDPK1KDRMEN1KMT2A
SCHEMBL6389812 0.79 RET (0.56) RETPDPK1KDRMEN1KMT2A

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-112574094-B Indolone derivatives and pharmaceutical use thereof 成都大学 2022-07-01 CN disclosed