SCHEMBL17499345

SCHEMBL17499345

C[Si](C)(C)Oc1ccccc1N=Cc1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.34
ALDH1A1 P00352 12/20 0.33
KDM4E B2RXH2 9/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 8/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
GAA P10253 4/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SENP7 Q9BQF6 1/20 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
SCHEMBL17499342 1.00 CYP1B1 (0.34) CYP1B1ALDH1A1KDM4EHSD17B10CASP1
SCHEMBL17499644 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL17499647 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL16096904 0.84 ALDH1A1 (0.46) CYP1B1ALDH1A1KDM4EHSD17B10CASP1
SCHEMBL16096903 0.84 ALDH1A1 (0.46) CYP1B1ALDH1A1KDM4EHSD17B10CASP1
SCHEMBL17499410 0.84 ALDH1A1 (0.46) CYP1B1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL17499406 0.84 ALDH1A1 (0.46) CYP1B1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL17499279 0.83 LMNA (0.38) CYP1B1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL17499282 0.83 LMNA (0.38) CYP1B1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL17499196 0.81 KDM4E (0.33) CYP1B1ALDH1A1KDM4EHSD17B10CASP1

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-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