SCHEMBL10596231

SCHEMBL10596231

C[Si](C)(C)CCSCCNC(=O)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ GAA P10253 2/20 0.55
▸ TSHR P16473 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ GLA P06280 1/20 0.47

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
SCHEMBL8616834 0.78 KDM4E (0.59) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10596825 0.77 SMN1; SMN2 (0.63) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL3077089 0.76 KDM4E (0.74) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL11253679 0.74 ACHE (0.67) KMT2ANPC1RAB9ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL31169755 0.74 KDM4E (0.72) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL4578939 0.74 KDM4E (0.77) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6127192 0.74 KDM4E (0.89) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL4578943 0.74 KDM4E (0.77) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10595285 0.73 NPC1 (0.64) KMT2ANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4045277 0.73 KDM4E (0.81) KMT2AKDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4560679-A Organosilicon compounds and antitumor agents containing the compound as effective component SANWA KAGAKU KENKYUSHO CO. LTD. (JP) 1985-12-24 — — US claimed
EP-0109195-B1 ANTITUMOR ORGANOSILICON COMPOUNDS AND THEIR PREPARATION SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-01-11 — — EP disclosed
US-4560679-A Organosilicon compounds and antitumor agents containing the compound as effective component SANWA KAGAKU KENKYUSHO CO. LTD. (JP) 1985-12-24 — — US disclosed
EP-0109195-A2 Antitumor organosilicon compounds and their preparation SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1984-05-23 — — EP disclosed
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