SCHEMBL5072155

SCHEMBL5072155

C[Si](C)(Oc1ccc(N)cc1)Oc1ccc(N)cc1.Nc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1.Nc1ccc(OCCCCOc2ccc(N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 2/20 0.47
CYP2D6 P10635 5/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42
DHFR P00374 2/20 0.41
CYP19A1 P11511 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3358721 0.87 ALDH1A1 (0.50) RAB9ANPC1KDM4ETDP1CYP3A4
SCHEMBL357605 0.81 TDP1 (0.52) RAB9ANPC1KDM4ETDP1CYP3A4
SCHEMBL31550424 0.80 RAB9A (0.62) RAB9ANPC1KDM4ETDP1CYP2D6
SCHEMBL7142649 0.80 RAB9A (0.66) RAB9ANPC1KDM4ETDP1CYP2D6
SCHEMBL21185869 0.79 TDP1 (0.57) RAB9ANPC1KDM4ETDP1CYP3A4
SCHEMBL563017 0.79 TDP1 (0.61) RAB9ANPC1TDP1CYP3A4TSHR
SCHEMBL23803985 0.79 RARB (0.61) RAB9ANPC1KDM4ETDP1CYP2D6
SCHEMBL10609513 0.79 RARB (0.61) RAB9ANPC1KDM4ETDP1CYP2D6
SCHEMBL4026012 0.77 TDP1 (0.59) RAB9ANPC1TDP1CYP2D6CYP3A4
SCHEMBL4026782 0.77 TDP1 (0.59) RAB9ANPC1TDP1CYP2D6CYP3A4

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
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed