SCHEMBL14028528

SCHEMBL14028528

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccccc3OCc3ccccc3)nc(N)c2CN=[N+]=[N-])C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.45
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CCNA1 P78396 1/20 0.39
HPGDS O60760 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
USP30 Q70CQ3 1/20 0.37
HTR6 P50406 3/20 0.37
BCHE P06276 2/20 0.36
SMARCA2 P51531 1/20 0.36

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
SCHEMBL4939836 0.89 PRMT5 (0.47) PRMT5ALOX5APFEN1CCNT1CCNA2
SCHEMBL7019154 0.88 PRMT5 (0.46) PRMT5ALOX5APFEN1CCNT1CCNA2
SCHEMBL14046479 0.87 PRMT5 (0.48) PRMT5ALOX5APFEN1CCNT1CCNA2
SCHEMBL4944836 0.85 PRMT5 (0.47) PRMT5ALOX5APFEN1CCNT1CCNA2
SCHEMBL4943046 0.85 PRMT5 (0.47) PRMT5ALOX5APFEN1CCNT1CCNA2
SCHEMBL4946466 0.85 PRMT5 (0.47) PRMT5ALOX5APFEN1CCNT1CCNA2
SCHEMBL4940870 0.85 PRMT5 (0.47) PRMT5ALOX5APFEN1CCNT1CCNA2
SCHEMBL4942308 0.84 PRMT5 (0.46) PRMT5ALOX5APFEN1CCNT1CCNA2
SCHEMBL4939088 0.83 IKBKB (0.53) PRMT5ALOX5APFEN1CCNT1CCNA2
SCHEMBL4945989 0.83 PRMT5 (0.46) PRMT5ALOX5APFEN1CCNT1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed