SCHEMBL17833366

SCHEMBL17833366

O=C(CCc1ccc([N+](=O)[O-])cc1)Cn1c(Cl)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
CXCR3 P49682 3/20 0.50
TBXA2R P21731 1/20 0.49
CFTR P13569 1/20 0.47
LMNA P02545 1/20 0.46
CTSD P07339 1/20 0.46
ATM Q13315 1/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP2 P08253 1/20 0.42
P2RX4 Q99571 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL4083303 0.82 CFTR (0.62) GSK3BCXCR3TBXA2RCFTRLMNA
SCHEMBL17824320 0.79 CXCR3 (0.51) GSK3BCXCR3TBXA2RCFTRLMNA
SCHEMBL10573467 0.74 TBXA2R (0.69) TBXA2RCFTRLMNAMAPT
SCHEMBL23361965 0.72 NOD1 (0.56) GSK3BCFTR
SCHEMBL2217926 0.72 LMNA (0.55) LMNANPSR1
SCHEMBL10572147 0.72 TBXA2R (0.66) GSK3BTBXA2RCFTRLMNAMAPT
SCHEMBL7999122 0.72 TSHR (0.66) MAPT
SCHEMBL23362172 0.71 NOD1 (0.66) GSK3BTBXA2RCFTRMAPTP2RX4
SCHEMBL4288066 0.71 KDM4E (0.65) LMNA
SCHEMBL28377078 0.70 CFTR (0.67) TBXA2RCFTRLMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 WO disclosed