SCHEMBL10595285

SCHEMBL10595285

C[Si](C)(C)CCSCCNC(=O)c1ccco1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ ALDH1A1 P00352 4/20 0.60
▸ POLB P06746 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ PKM P14618 1/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ HPGD P15428 3/20 0.55
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ GFER P55789 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8645072 0.81 NPC1 (0.66) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL8641907 0.81 ALDH1A1 (0.62) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL8645076 0.79 NPC1 (0.68) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL10596825 0.78 SMN1; SMN2 (0.63) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL8641905 0.77 ALDH1A1 (0.60) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL6361865 0.77 ALDH1A1 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL27905947 0.75 ALDH1A1 (0.77) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL16266236 0.75 SMN1; SMN2 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL18906003 0.75 ALDH1A1 (0.77) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL3092684 0.74 ALDH1A1 (0.81) NPC1RAB9AALDH1A1POLBSMN1; 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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