SCHEMBL6963074

SCHEMBL6963074

C/C(=C\CO)c1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.53
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.45
PKM P14618 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL6963086 1.00 FLT3 (0.53) FLT3ALDH1A1HPGDNPC1RAB9A
SCHEMBL6963079 1.00 FLT3 (0.53) FLT3ALDH1A1HPGDNPC1RAB9A
SCHEMBL29538027 0.84 FLT3 (0.55) FLT3ALDH1A1HPGDNPC1RAB9A
SCHEMBL14404773 0.82 FLT3 (0.56) FLT3ALDH1A1HPGDNPC1RAB9A
SCHEMBL25117245 0.78 FLT3 (0.51) FLT3ALDH1A1HPGDNPC1RAB9A
SCHEMBL8915455 0.77 FLT3 (0.64) FLT3ALDH1A1HPGDNPC1RAB9A
SCHEMBL4828388 0.77 FLT3 (0.59) FLT3ALDH1A1HPGDNPC1RAB9A
SCHEMBL19399058 0.77 FLT3 (0.50) FLT3ALDH1A1HPGDNPC1RAB9A
SCHEMBL4828392 0.77 FLT3 (0.59) FLT3ALDH1A1HPGDNPC1RAB9A
SCHEMBL6958107 0.77 FLT3 (0.59) FLT3ALDH1A1HPGDNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed