SCHEMBL4414240

SCHEMBL4414240

COc1ccc(CCNc2c(N)cccc2O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
HDAC1 Q13547 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3410258 0.75 MAPT (0.48) MAPTHDAC1ABL1RIN1MEN1
SCHEMBL30128374 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21759904 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2843558 0.67 CD44 (0.38) GAAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL29878833 0.66 ALDH1A1 (0.48) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL211750 0.66 ALDH1A1 (0.48) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL17782678 0.66 L3MBTL1 (0.51) MAPTMEN1POLBKMT2AALDH1A1
SCHEMBL10730707 0.66 ACP1 (0.51) MAPTHDAC1MEN1POLBKMT2A
SCHEMBL31749070 0.66 ALDH1A1 (0.35) GAAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL7247912 0.66 TSHR (0.45) MAPTGAAALDH1A1HPGDTSHR

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-1679966-A4 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
EP-1679966-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
WO-2005012242-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 WO disclosed