SCHEMBL6865638

SCHEMBL6865638

O=C(Oc1ccccc1-c1ccccc1C(=O)O)c1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
SLC6A3 Q01959 1/20 0.51
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 3/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ESR1 P03372 2/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TOP1 P11387 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL12446767 0.90 KMT2A (0.61) KMT2ASLC6A3KDM4EHSD17B10LMNA
SCHEMBL6870248 0.85 SLC6A3 (0.63) KMT2ASLC6A3KDM4EHSD17B10LMNA
SCHEMBL6875008 0.84 KMT2A (0.53) KMT2ASLC6A3KDM4EHSD17B10LMNA
SCHEMBL6872105 0.83 SLC6A3 (0.54) KMT2ASLC6A3KDM4EHSD17B10LMNA
SCHEMBL11284614 0.81 HSD17B10 (0.62) KMT2ASLC6A3KDM4EHSD17B10LMNA
SCHEMBL12446253 0.78 KMT2A (0.55) KMT2ASLC6A3KDM4ELMNAHPGD
SCHEMBL11121859 0.78 HSD17B10 (0.58) KMT2ASLC6A3KDM4EHSD17B10LMNA
SCHEMBL17744787 0.76 SLC6A3 (0.46) KMT2ASLC6A3KDM4EHSD17B10LMNA
SCHEMBL6882339 0.76 SLC6A3 (0.55) KMT2ASLC6A3KDM4EHSD17B10LMNA
SCHEMBL6881505 0.76 KMT2A (0.59) KMT2ASLC6A3KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720287-B2 WHEN AN AROMATIC DICARBOXYLATE IS ENCAPSULATEDTOGETHER WITH THE DIAZONIUM SALT COMPOUND, GENERATION OF PHOTODECOMPOSITION STAIN IS REDUCED AND SHELF LIFE IS IMPROVED FUJI PHOTO FILM CO., LTD. (JP) 2004-04-13 US disclosed
US-20030045426-A1 Heat sensitive recording material and microcapsule solution FUJI PHOTO FILM CO., LTD. 2003-03-06 US disclosed