SCHEMBL8932019

SCHEMBL8932019

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(OCc2cccc(OC)c2)[C@H]2O[C@@](C#N)(n3cc(C)c(=O)[nH]c3=O)C[C@@]2(O)[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EED O75530 1/20 0.30
RBBP4 Q09028 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 1/20 0.30
AEBP2 Q6ZN18 1/20 0.30

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
SCHEMBL6830788 0.86 TK1 (0.32)
SCHEMBL8932105 0.86 PLA2G2A (0.32) ALDH1A1EEDRBBP4SUZ12EZH2
SCHEMBL8931932 0.85
SCHEMBL8931951 0.83
SCHEMBL8931999 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8931981 0.82
SCHEMBL8932064 0.82 FPR1 (0.32)
SCHEMBL8932126 0.80 NQO2 (0.31)
SCHEMBL8932077 0.77 TK1 (0.36)
SCHEMBL6829895 0.76 TK1 (0.34)

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
US-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 US disclosed