SCHEMBL30428545

SCHEMBL30428545

COC(=O)c1cc(Cc2ccc(OC)nc2)c2occc2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.40
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 2/20 0.37
CSF1R P07333 3/20 0.37
CHRM4 P08173 1/20 0.36
PARP1 P09874 1/20 0.36
HDAC1 Q13547 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2B P29275 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLAT P00750 1/20 0.35
KCNH2 Q12809 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL21873426 1.00 GRM2 (0.40) GRM2MEN1PABPC1KMT2AADORA2A
SCHEMBL30427587 0.90 IGFBP5 (0.43) GRM2MEN1PABPC1KMT2AADORA2A
SCHEMBL21873443 0.90 IGFBP5 (0.43) GRM2MEN1PABPC1KMT2AADORA2A
SCHEMBL21873492 0.84 ALDH1A1 (0.43) GRM2KMT2AADORA2AL3MBTL1SMN1; SMN2
SCHEMBL30427986 0.84 ALDH1A1 (0.43) GRM2KMT2AADORA2AL3MBTL1SMN1; SMN2
SCHEMBL21935353 0.82 CHRM1 (0.47) KMT2AADORA2A
SCHEMBL21873464 0.81 CHRM1 (0.44)
SCHEMBL21873436 0.80 BRD4 (0.37)
SCHEMBL21873398 0.80 CHRM1 (0.48) GRM2CSF1R
SCHEMBL31668977 0.79 CHRM1 (0.48)

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-110709401-B Heterocyclic compounds 武田药品工业株式会社 2023-06-13 CN disclosed