SCHEMBL14339798

SCHEMBL14339798

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3c(O)cccc3CCc3ccccc3)nc(N)c2C=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.41
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
SMARCA2 P51531 2/20 0.39
SMARCA4 P51532 2/20 0.39
PBRM1 Q86U86 2/20 0.39
PRMT5 O14744 3/20 0.39
HPGDS O60760 1/20 0.37
HTR6 P50406 3/20 0.36
SCN9A Q15858 1/20 0.36
BCHE P06276 2/20 0.36
IKBKB O14920 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 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
SCHEMBL14339748 0.90 USP30 (0.42) USP30ALOX5APFEN1SMARCA2SMARCA4
SCHEMBL4945873 0.88 IKBKB (0.49) USP30ALOX5APFEN1SMARCA2SMARCA4
SCHEMBL4941346 0.84 SMARCA2 (0.51) USP30ALOX5APFEN1SMARCA2SMARCA4
SCHEMBL14339743 0.81 USP30 (0.42) USP30ALOX5APFEN1PRMT5HPGDS
SCHEMBL4942308 0.80 PRMT5 (0.46) USP30ALOX5APFEN1SMARCA2SMARCA4
SCHEMBL4944736 0.79 SMARCA2 (0.43) USP30ALOX5APFEN1SMARCA2SMARCA4
SCHEMBL14339641 0.78 PRMT5 (0.41) USP30ALOX5APFEN1SMARCA2SMARCA4
SCHEMBL14339627 0.78 PRMT5 (0.41) USP30ALOX5APFEN1SMARCA2SMARCA4
SCHEMBL14339652 0.78 PRMT5 (0.41) USP30ALOX5APFEN1SMARCA2SMARCA4
SCHEMBL4943483 0.77 SMARCA2 (0.43) USP30ALOX5APFEN1SMARCA2SMARCA4

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
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP disclosed