SCHEMBL6254658

SCHEMBL6254658

CC[Si]1(CC)C(c2cc3ccccc3cn2)=C(c2ccccc2)C(c2ccccc2)=C1c1cc2ccccc2cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 1/20 0.39
S1PR1 P21453 1/20 0.38
IDO1 P14902 3/20 0.37
TDO2 P48775 3/20 0.37
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BTK Q06187 1/20 0.36
PDPK1 O15530 1/20 0.35
MIF P14174 1/20 0.35
HTR3A P46098 1/20 0.34

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
SCHEMBL6257290 0.87 NPC1 (0.43) NPC1RAB9ACYP1A2CYP2A6S1PR1
SCHEMBL6257785 0.83 NPC1 (0.47) NPC1RAB9ACYP1A2CYP2A6S1PR1
SCHEMBL6255278 0.82 NPC1 (0.44) NPC1RAB9ACYP1A2CYP2A6S1PR1
SCHEMBL6256051 0.80 CYP11B1 (0.41) NPC1RAB9ACYP1A2KDM4E
SCHEMBL6253459 0.79 NPC1 (0.43) NPC1RAB9ACYP1A2CYP2A6S1PR1
SCHEMBL6256260 0.78 KDM4E (0.37) IDO1TDO2KDM4ETDP1
SCHEMBL6256333 0.77 NPC1 (0.48) NPC1RAB9AKDM4E
SCHEMBL6253399 0.76 CYP1A1 (0.42) NPC1RAB9ACYP1A2KDM4E
SCHEMBL8168452 0.76 NPC1 (0.41) NPC1RAB9ACYP1A2CYP2A6S1PR1
SCHEMBL6254611 0.76 HPGDS (0.45) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143538-B1 Organic electroluminescent element containing a silacyclopentadiene derivative CHISSO CORP (JP) 2005-09-14 EP disclosed
EP-0754691-B1 Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORP (JP) 2003-11-19 EP disclosed
EP-1143538-A1 Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative Chisso Corporation (JP) 2001-10-10 EP disclosed
US-6051319-A Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 2000-04-18 US disclosed
US-5986121-A Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 1999-11-16 US disclosed
EP-0754691-A2 Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 1997-01-22 EP disclosed