SCHEMBL18675329

SCHEMBL18675329

C=C(Br)n1nnc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.61
▸ GAA P10253 9/20 0.54
▸ MGAM O43451 8/20 0.54
▸ AMY1A P0DUB6 8/20 0.54
▸ SI P14410 8/20 0.54
▸ MGAM2 Q2M2H8 8/20 0.54
▸ F2 P00734 2/20 0.54
▸ SLC9A1 P19634 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ F12 P00748 6/20 0.53
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ KCNMA1 Q12791 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 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
SCHEMBL15426053 0.84 DGAT1 (0.66) DGAT1GAAMGAMAMY1ASI
SCHEMBL14362020 0.81 DGAT1 (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL28952648 0.78 GAA (0.65) DGAT1GAAMGAMAMY1ASI
SCHEMBL29728232 0.78 GAA (0.65) DGAT1GAAMGAMAMY1ASI
SCHEMBL16451454 0.77 DGAT1 (0.56) DGAT1GAAMGAMAMY1ASI
SCHEMBL29728231 0.76 MGAM (0.68) DGAT1GAAMGAMAMY1ASI
SCHEMBL21203205 0.76 DGAT1 (0.51) DGAT1GAAMGAMAMY1ASI
SCHEMBL28836685 0.76 MGAM (0.68) DGAT1GAAMGAMAMY1ASI
SCHEMBL2970279 0.76 DGAT1 (0.66) DGAT1GAAMGAMAMY1ASI
SCHEMBL706083 0.76 MGAM (0.68) DGAT1GAAMGAMAMY1ASI

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-20170088902-A1 EXPRESSION PROFILING FOR CANCERS TREATED WITH ANTI-ANGIOGENIC THERAPY ALMAC DIAGNOSTICS LIMITED (GB) 2017-03-30 — — US disclosed
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