SCHEMBL21651101

SCHEMBL21651101

Oc1ccc(Cl)cc1-c1c(F)cc(Br)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ PIM1 P11309 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ IDO1 P14902 5/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ EEF2K O00418 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ AKT1 P31749 1/20 0.37

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
SCHEMBL19802353 0.81 EPHX2 (0.41) EPHX2PIM1LMNAKMT2AHPGD
SCHEMBL21658955 0.77 GAA (0.44) EPHX2PIM1LMNAKMT2AHPGD
SCHEMBL26254443 0.75 GAA (0.49) EPHX2PIM1LMNAKMT2AHPGD
SCHEMBL23312494 0.73 PDK2 (0.44) KMT2AHPGDMEN1MAPTALOX15
SCHEMBL23230617 0.73 GABRA1 (0.59) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL29870225 0.71 MGAM (0.55) EPHX2PIM1LMNAKMT2AHPGD
SCHEMBL28864535 0.71 MGAM (0.55) EPHX2PIM1LMNAKMT2AHPGD
SCHEMBL6242615 0.70 HSD17B10 (0.62) EPHX2PIM1LMNAKMT2AHPGD
SCHEMBL31093991 0.70 HSD17B10 (0.62) EPHX2PIM1LMNAKMT2AHPGD
SCHEMBL10227258 0.70 ALOX15 (0.46) LMNAKMT2AHPGDMEN1MAPT

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-2020022860-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-01-30 — — WO disclosed
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