SCHEMBL28036728

SCHEMBL28036728

O=C(O)c1c(CCBr)cccc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.71
KMT2A Q03164 1/20 0.49
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
DPP4 P27487 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
HNF4A P41235 1/20 0.42
BID P55957 4/20 0.42
MCL1 Q07820 4/20 0.42
BCL2L1 Q07817 3/20 0.42
BAK1 Q16611 3/20 0.42
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
PTPN1 P18031 1/20 0.40
GSK3B P49841 1/20 0.40
KAT8 Q9H7Z6 2/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL8949856 0.86 FOLH1 (0.76) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL5033866 0.86 FOLH1 (0.66) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL25171586 0.83 FOLH1 (0.71) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL4370868 0.83 FOLH1 (1.00) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL8872410 0.82 FOLH1 (0.70) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL4588820 0.82 DPP4 (0.56) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL27617768 0.81 FOLH1 (0.49) FOLH1KMT2A
SCHEMBL25181448 0.81 FOLH1 (0.68) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL25264013 0.81 FOLH1 (0.68) FOLH1BIDMCL1BCL2L1BAK1
SCHEMBL25185377 0.80 FOLH1 (0.66) FOLH1BIDMCL1BCL2L1BAK1

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
CN-105008347-A Isoquinoline compounds as potassium ion channel inhibitors BRISTOL MYERS SQUIBB CO 2015-10-28 CN disclosed