SCHEMBL11077910

SCHEMBL11077910

COc1ccc2[nH]c3c(C)c4cc[nH]c(=O)c4cc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.54
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
GFER P55789 1/20 0.50
DYRK1A Q13627 2/20 0.49
HPGD P15428 5/20 0.48
RAB9A P51151 4/20 0.47
RECQL P46063 2/20 0.47
PKM P14618 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KIT P10721 2/20 0.47
TLR3 O15455 1/20 0.47
NR3C1 P04150 1/20 0.47
POLB P06746 1/20 0.47
PDGFRB P09619 1/20 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
SCHEMBL1656578 0.84 ALDH1A1 (0.59) STING1KDM4EALDH1A1MAPTMEN1
SCHEMBL615545 0.82 MAOA (0.53) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL613137 0.81 LIMK1 (0.68) STING1KDM4EALDH1A1MAPTMEN1
SCHEMBL11081378 0.80 NQO2 (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL612838 0.74 KIT (0.59) STING1KDM4EALDH1A1MAPTMEN1
SCHEMBL614041 0.73 KIT (0.58) STING1KDM4EALDH1A1MAPTMEN1
SCHEMBL9678106 0.73 KIT (0.55) STING1KDM4EALDH1A1MAPTMEN1
SCHEMBL20138908 0.72 DYRK1A (0.54) KDM4EALDH1A1KMT2AHSD17B10DYRK1A
SCHEMBL16009072 0.72 ALDH1A1 (0.59) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8548801 0.72 KIT (0.54) STING1KDM4EALDH1A1MAPTMEN1

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-4434290-A TREATMENT OF LEUKEMIAS AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (FR) 1984-02-28 US disclosed