SCHEMBL4009999

SCHEMBL4009999

Brc1ccc(-c2cc3ccccc3s2)nc1.Brc1ccc(I)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP19A1 P11511 1/20 0.42
APP P05067 2/20 0.37
DCK P27707 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
IKBKB O14920 5/20 0.35
CHUK O15111 2/20 0.35
IKBKG Q9Y6K9 2/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
KCNH2 Q12809 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NQO1 P15559 1/20 0.33

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
SCHEMBL4014804 0.92 KDM1A (0.57) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL28911362 0.74 KDM1A (0.57) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL4821816 0.74 KDM1A (0.57) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL13017787 0.74 KDM1A (0.57) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL13201335 0.74 KDM1A (0.64) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL4659871 0.73 KDM1A (0.56) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL12376481 0.71 KDM1A (0.54) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL1445088 0.71 MIF (0.50) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL3824441 0.70 KDM1A (0.53) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL19794423 0.70 KDM1A (0.53) KDM1ACYP11B1CYP11B2CYP19A1APP

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-2009082043-A1 IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE DONGWOO FINE-CHEM CO., LTD. (KR) 2009-07-02 WO disclosed