SCHEMBL18671306

SCHEMBL18671306

CSCOC1CC(n2cnc3c(OC(=O)N(c4ccccc4)c4ccccc4)nc(NC(=O)C(C)C)nc32)OC1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
P2RY1 P47900 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL29776899 1.00 KDM4E (0.40) KDM4EP2RY1CDK5CDK5R1
SCHEMBL18844548 1.00 KDM4E (0.40) KDM4EP2RY1CDK5CDK5R1
SCHEMBL16249169 1.00 KDM4E (0.40) KDM4EP2RY1CDK5CDK5R1
SCHEMBL18844545 0.93 KDM4E (0.40) KDM4EP2RY1CDK5CDK5R1
SCHEMBL18844547 0.90 KDM4E (0.36) KDM4EP2RY1
SCHEMBL14985924 0.90 KDM4E (0.38) KDM4EP2RY1
SCHEMBL18462901 0.90 KDM4E (0.38) KDM4EP2RY1
SCHEMBL14985925 0.87 CDK5 (0.30) CDK5CDK5R1
SCHEMBL18844546 0.85 KDM4E (0.48) KDM4ECDK5CDK5R1
SCHEMBL25504326 0.81 HINT1 (0.38)

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-9605301-B2 Methods and solutions for inhibiting undesired cleaving of labels INTELLIGENT BIO-SYSTEMS, INC. (US) 2017-03-28 US disclosed