SCHEMBL8700779

SCHEMBL8700779

C[C@@H](O[Si](C)(C)C(C)(C)C)N1C(=O)CC1CCC(=S)c1ccccn1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
KDR P35968 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SNRNP200 O75643 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
SCHEMBL8697049 0.90 BRD4 (0.33) BRD4BRPF1SMN1; SMN2MEN1NPC1
SCHEMBL8695583 0.82 BRD4 (0.36) BRD4BRPF1KDRSMN1; SMN2NPC1
SCHEMBL8700776 0.80 BUB1 (0.33) THRBKDRSMN1; SMN2MEN1NPC1
SCHEMBL31436154 0.77 PTGER3 (0.32)
SCHEMBL9811315 0.75 BRD4 (0.32) BRD4
SCHEMBL8697047 0.73 L3MBTL1 (0.32) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL8698470 0.73 RAB9A (0.41) KDRSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL8695579 0.71 L3MBTL1 (0.35) SMN1; SMN2KMT2A
SCHEMBL9811345 0.70 ITGB1 (0.34) THRB
SCHEMBL10415296 0.70 ITGB1 (0.34) THRB

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-5719275-A REACTING SILYL ENOL ETHER WITH AZETIDINONE DERIVATIVE TO FORM INTERMEDIATE FOR PENICILLIN-TYPE ANTIBIOTIC SANKYO COMPANY, LIMITED (JP) 1998-02-17 US disclosed
US-5681951-A REACTING PENICILLIN DERIVATIVE HAVING SULFINYL OR SULFONYL GROUP IN 2 POSITION WITH SUBSTITUTED MERCAPTAN IN PRESENCE OF SALT OF GROUP IIA OR IIIA ELEMENT SANKYO COMPANY, LIMITED (JP) 1997-10-28 US disclosed