SCHEMBL17499280

SCHEMBL17499280

C[Si](C)(C)Oc1ccccc1N=CCc1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.35
CYP3A4 P08684 5/20 0.35
CYP2D6 P10635 5/20 0.35
CYP2C19 P33261 5/20 0.35
TSHR P16473 4/20 0.34
CLK4 Q9HAZ1 3/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
CASP6 P55212 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 2/20 0.32

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
SCHEMBL16098234 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL16097015 0.85 KDM4E (0.36) CYP1A2CYP3A4CYP2C19SMN1; SMN2HTT
SCHEMBL16096910 0.84 KDM4E (0.38) CYP1A2CYP3A4CYP2C19SMN1; SMN2HTT
SCHEMBL17499391 0.82 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL16096533 0.81 POLB (0.35) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL17499379 0.80 POLB (0.32) ALDH1A1KDM4EPOLB
SCHEMBL16097077 0.80 ALDH1A1 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL17499156 0.79 CYP19A1 (0.32) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL17499385 0.78 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL16098025 0.77 MAPT (0.46) CYP1A2TSHRSMN1; SMN2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed