SCHEMBL21409752

SCHEMBL21409752

CCCCO[Si](OCCCC)(OCCCC)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
TSHR P16473 3/20 0.46
CYP1A2 P05177 3/20 0.46
LMNA P02545 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
PDE4D Q08499 1/20 0.46
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.36
DRD3 P35462 1/20 0.36
SCN1A P35498 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL977974 0.90 CYP2D6 (0.39) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL7124322 0.88 MAPT (0.39) CYP3A4TSHRCYP1A2LMNACYP2C9
SCHEMBL3878874 0.82 DRD2 (0.36) CYP3A4CYP1A2LMNACYP2C9CYP2C19
SCHEMBL17937618 0.81 SMN1; SMN2 (0.41) CYP3A4RAB9ANPC1TDP1ALDH1A1
SCHEMBL17937801 0.81 MGLL (0.37) CYP3A4CYP1A2LMNACYP2C19RAB9A
SCHEMBL431649 0.80 LTA4H (0.47) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL483106 0.79 TDP1 (0.46) CYP3A4TSHRCYP1A2LMNARAB9A
SCHEMBL14191182 0.79 CYP2D6 (0.33) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL21409813 0.79 TSHR (0.49) CYP3A4TSHRCYP1A2LMNACYP2C9
SCHEMBL7851854 0.78 TDP1 (0.37) CYP3A4TSHRRAB9ANPC1KDM4E

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
CN-111886278-A Triazine ring-containing polymer, resin composition, cured film, and solid-state imaging element 东丽株式会社 2020-11-03 CN disclosed
WO-2019188475-A1 TRIAZINE-RING-CONTAINING POLYMER, RESIN COMPOSITION, CURED FILM, AND SOLID-STATE IMAGING ELEMENT 東レ株式会社 2019-10-03 WO disclosed