SCHEMBL8007765

SCHEMBL8007765

Cc1nnc(CCCCCCc2cccc(-c3nn(C)nc3-c3ccccc3)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
THRB P10828 1/20 0.36
HSD11B1 P28845 2/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.34
GLS O94925 1/20 0.34
SPHK2 Q9NRA0 1/20 0.33

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
SCHEMBL8008284 1.00 POLB (0.38) POLBTHRBHSD11B1GRIN1GRIN2B
SCHEMBL8007749 0.99 POLB (0.39) POLBTHRBHSD11B1GRIN1GRIN2B
SCHEMBL8010417 0.97 POLB (0.41) POLBHSD11B1GRIN1GRIN2BKMT2A
SCHEMBL8013957 0.86 GRIN1 (0.36) POLBHSD11B1GRIN1GRIN2B
SCHEMBL7998525 0.80 HDAC1 (0.33) POLBGRIN1GRIN2BKDM4E
SCHEMBL7999089 0.77 HDAC1 (0.34) GRIN1GRIN2BKDM4E
SCHEMBL10261621 0.76 ATM (0.36) POLBKDM4EKMT2ASPHK2
SCHEMBL10261625 0.76 ATM (0.36) POLBKDM4EKMT2ASPHK2
SCHEMBL8008647 0.76 L3MBTL1 (0.37) POLBTHRBKDM4EKMT2A
SCHEMBL10293188 0.76 ATM (0.36) POLBKMT2ASPHK2

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-2009134987-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed