SCHEMBL4403774

SCHEMBL4403774

CCC(=O)c1ccc2c(OC)nccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
APAF1 O14727 1/20 0.42
NSD2 O96028 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GRM4 Q14833 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 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
SCHEMBL4404806 0.89 MEN1 (0.45) CSNK2A1HIPK2MEN1KMT2AHPGD
SCHEMBL29830673 0.84 KDM4E (0.50) CSNK2A1HIPK2HPGDKDM4EL3MBTL1
SCHEMBL2671852 0.84 KDM4E (0.50) CSNK2A1HIPK2HPGDKDM4EL3MBTL1
SCHEMBL31187507 0.82 CSNK2A1 (0.47) CSNK2A1HIPK2HPGDKDM4EL3MBTL1
SCHEMBL17142202 0.82 CSNK2A1 (0.47) CSNK2A1HIPK2HPGDKDM4EL3MBTL1
SCHEMBL4137619 0.80 HIPK2 (0.45) CSNK2A1HIPK2HPGDKDM4EL3MBTL1
SCHEMBL26928402 0.79 HIPK2 (0.51) HIPK2MEN1KMT2AHPGDKDM4E
SCHEMBL9883177 0.74 ROCK1 (0.42) MEN1KMT2AHPGDKDM4ESMN1; SMN2
SCHEMBL9860196 0.74 SMN1; SMN2 (0.50) MEN1KMT2AHPGDKDM4ESMN1; SMN2
SCHEMBL30229317 0.73 NNMT (0.48) CSNK2A1HIPK2HPGDL3MBTL1APAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022240830-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES (US) 2022-11-17 WO disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO disclosed