SCHEMBL30864288

SCHEMBL30864288

C=Cc1ccc(Br)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.47
ALOX15 P16050 4/20 0.44
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
GAA P10253 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
CASP1 P29466 2/20 0.39
CES2 O00748 1/20 0.39
GALR3 O60755 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL13514357 1.00 ERN1 (0.47) ERN1ALOX15CA12CA9CA1
SCHEMBL11378931 0.82 ERN1 (0.63) ERN1ALOX15CA12CA9CA1
SCHEMBL1006586 0.77 ERN1 (0.69) ERN1ALOX15CA12CA9CA1
SCHEMBL27809742 0.77 ERN1 (0.47) ERN1ALOX15CA12CA9CA1
SCHEMBL22487818 0.77 ERN1 (0.47) ERN1ALOX15CA12CA9CA1
SCHEMBL686136 0.76 TYR (0.52) GAAKMT2AMEN1MAPT
SCHEMBL183266 0.76 ALOX15 (0.42) ERN1ALOX15KMT2AMEN1MAPT
SCHEMBL29413980 0.76 ALOX15 (0.42) ERN1ALOX15KMT2AMEN1MAPT
SCHEMBL29420732 0.76 TYR (0.52) GAAKMT2AMEN1MAPT
SCHEMBL3752479 0.76 ERN1 (0.45) ERN1ALOX15CA12CA9CA1

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-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 CN disclosed