SCHEMBL22325829

SCHEMBL22325829

Brc1ccc2cc[nH]c2c1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.43
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.35
TSHR P16473 1/20 0.35
AHR P35869 2/20 0.34
TRPA1 O75762 1/20 0.33
PDPK1 O15530 1/20 0.33
PIM3 Q86V86 1/20 0.33
TNF P01375 1/20 0.33
RIPK1 Q13546 1/20 0.33
DRD4 P21917 2/20 0.32
BRD4 O60885 3/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL22326019 0.83 PIN1 (0.35) RHEBKEAP1KDM4EMAPTKMT2A
SCHEMBL22325916 0.81 BRPF1 (0.42) RHEBKEAP1KDM4EPDPK1BRD4
SCHEMBL2305754 0.75 BRD4 (0.41) KMT2AAHRPIM3TNFRIPK1
SCHEMBL4718619 0.70 KEAP1 (0.49) RHEBKEAP1KMT2ALTA4HTSHR
SCHEMBL15741308 0.68 TNF (0.42) KEAP1AHRTRPA1PDPK1PIM3
SCHEMBL15749988 0.67 ALDH1A1 (0.38) KEAP1KDM4EMAPTKMT2AAHR
SCHEMBL22326024 0.66 MAOB (0.44) RHEBKDM4EGLAMAPTKMT2A
SCHEMBL11313504 0.66 ALDH1A1 (0.48) KDM4EGLAMAPTKMT2ALTA4H
SCHEMBL7089361 0.66 GSTP1 (0.46) KEAP1LTA4HTSHRAHRPDPK1
SCHEMBL15662861 0.65 TNF (0.59) KEAP1KMT2ALTA4HAHRPDPK1

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-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed