SCHEMBL12468938

SCHEMBL12468938

[C]1=CC(C23CC4CC(CC(C4)C2)C3)=CCN1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3162669 0.71 ALDH1A1 (0.35) USP2MAPTTHRBTDP1ALDH1A1
SCHEMBL3154175 0.64 ALDH1A1 (0.37) USP2MAPTTHRBTDP1ALDH1A1
SCHEMBL12470695 0.63
SCHEMBL6745115 0.60 ALDH1A1 (0.36) USP2MAPTTHRBTDP1ALDH1A1
SCHEMBL28299622 0.59 LMNA (0.43) USP2MAPTTHRBTDP1ALDH1A1
SCHEMBL15923165 0.58 LMNA (0.34) USP2MAPTTHRBTDP1ALDH1A1
SCHEMBL1987364 0.57
SCHEMBL5912796 0.57
SCHEMBL10340245 0.57 MEN1 (0.34) USP2MAPTTHRBTDP1ALDH1A1
Hydrochloric Acid SCHEMBL27535208 0.57 ALDH1A1 (0.33) USP2MAPTTHRBTDP1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 EP disclosed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 WO disclosed
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 WO disclosed