SCHEMBL17499256

SCHEMBL17499256

C[Si](C)(C)Oc1ccccc1N=CCc1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
LMNA P02545 2/20 0.35
NOTUM Q6P988 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNA7 P36544 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL17499598 0.86 LMNA (0.43) DRD2HTR1ALMNAGAAPKM
SCHEMBL17499494 0.86
SCHEMBL17499156 0.85 CYP19A1 (0.32) CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL17499203 0.83 CHRNA7 (0.36) DRD2HTR1ACHRNB2CHRNA4LMNA
SCHEMBL17499338 0.81 KDM4E (0.32) NOTUMCYP1A2POLB
SCHEMBL17499540 0.78 MEN1 (0.32) ALDH1A1
SCHEMBL17499619 0.77
SCHEMBL17499429 0.77 KDM1A (0.34) GAAPKML3MBTL1ALDH1A1
SCHEMBL17499644 0.77 ALDH1A1 (0.47) LMNAGAACYP1A2L3MBTL1ALDH1A1
SCHEMBL17499647 0.77 ALDH1A1 (0.47) LMNAGAACYP1A2L3MBTL1ALDH1A1

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