SCHEMBL30463579

SCHEMBL30463579

Oc1cc(-c2ccco2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.46
TAAR1 Q96RJ0 3/20 0.45
KEAP1 Q14145 1/20 0.44
PTPN1 P18031 1/20 0.41
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
PTPN7 P35236 1/20 0.40

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
SCHEMBL28578708 0.78 TAAR1 (0.48) ERN1TAAR1KEAP1POLBMEN1
SCHEMBL30452061 0.75 TAAR1 (0.45) ERN1TAAR1KEAP1POLBMEN1
SCHEMBL27624055 0.75 KEAP1 (0.49) ERN1TAAR1KEAP1PTPN1POLB
SCHEMBL19662062 0.74 TAAR1 (0.58) ERN1TAAR1KEAP1PTPN1POLB
SCHEMBL6067949 0.74 ERN1 (0.49) ERN1TAAR1KEAP1PTPN1POLB
SCHEMBL394300 0.71 TAAR1 (0.76) ERN1TAAR1KEAP1POLBMEN1
SCHEMBL419195 0.71 TAAR1 (0.61) ERN1TAAR1KEAP1POLBMEN1
SCHEMBL14067105 0.71 TAAR1 (0.45) ERN1TAAR1KEAP1PTPN1POLB
SCHEMBL30060639 0.71 KEAP1 (0.58) ERN1TAAR1KEAP1MEN1MAPT
SCHEMBL29679522 0.71 ERN1 (0.64) ERN1TAAR1KEAP1POLBMEN1

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-116514799-A Wee1 inhibitor, composition and application thereof 星希尔生物科技(上海)有限公司 2023-08-01 CN disclosed