SCHEMBL7697958

SCHEMBL7697958

COc1cc(OC)c2ccc(Br)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
NQO2 P16083 2/20 0.45
F2 P00734 1/20 0.43
SLC2A1 P11166 1/20 0.42
GAK O14976 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
FBP1 P09467 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PRNP P04156 1/20 0.38
MPO P05164 1/20 0.38
KRAS P01116 1/20 0.38

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
SCHEMBL7691857 0.86 L3MBTL1 (0.60) L3MBTL1KDM4EALDH1A1HPGDSLC2A1
SCHEMBL9828612 0.83 F2 (0.56) L3MBTL1KDM4EALDH1A1HPGDNQO2
SCHEMBL7699219 0.81 ALDH1A1 (0.49) L3MBTL1KDM4EALDH1A1HPGDNQO2
SCHEMBL396614 0.77 HPGD (0.64) L3MBTL1KDM4EALDH1A1HPGDNQO2
SCHEMBL30065410 0.77 HPGD (0.64) L3MBTL1KDM4EALDH1A1HPGDNQO2
SCHEMBL7700056 0.76 ALDH1A1 (0.55) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28611035 0.75 HPGD (0.62) L3MBTL1KDM4EALDH1A1HPGDNQO2
SCHEMBL3304514 0.75 GAK (0.61) KDM4ENQO2GAKFBP1ABCG2
SCHEMBL29892755 0.75 GAK (0.61) KDM4ENQO2GAKFBP1ABCG2
SCHEMBL27030369 0.75 NQO2 (0.51) KDM4EALDH1A1HPGDNQO2SLC2A1

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
WO-2002026713-A1 ANTIPARASITIC COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-04 WO disclosed