SCHEMBL6403280

SCHEMBL6403280

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@@]3([SiH2]C3OC(C)(C)C)[C@@H](OC(C)(C)C)[C@H]2OCO[Si](C(C)C)(C(C)C)C(C)C)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HINT1 P49773 1/20 0.31
▸ TAAR1 Q96RJ0 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
SCHEMBL1582852 0.89 KDM4E (0.43) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL6401802 0.87 KDM4E (0.41) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL6398833 0.86 HINT1 (0.39) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL6399140 0.78 PRMT6 (0.40) —
SCHEMBL6402956 0.77 KDM4E (0.55) KDM4ETAS1R3TAS1R1ALDH1A1HINT1
SCHEMBL6402954 0.77 KDM4E (0.55) KDM4ETAS1R3TAS1R1ALDH1A1HINT1
SCHEMBL6398232 0.74 DUT (0.35) —
SCHEMBL23243909 0.72 KDM4E (0.48) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL27174759 0.71 MEN1 (0.41) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL1582222 0.71 STING1 (0.41) TAS1R3TAS1R1HINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911518-B2 Polyhedral oligomeric -silsesquioxanes, -silicates and -siloxanes bearing ring-strained olefinic functionalities HYBRID PLASTICS, LLC (US) 2005-06-28 — — US disclosed
US-20040068075-A1 POLYHEDRAL OLIGOMERIC -SILSESQUIOXANES, -SILICATES AND -SILOXANES BEARING RING-STRAINED OLEFINIC FUNCTIONALITIES HYBRID PLASTICS 2004-04-08 — — US disclosed
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