SCHEMBL3730183

SCHEMBL3730183

COC(=O)c1cccc(-c2cc3cc(Cl)cc(N)c3[nH]2)c1.O=C(O)c1cccc(-c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
XDH P47989 1/20 0.41
FBP1 P09467 3/20 0.39
HRH4 Q9H3N8 1/20 0.37
PLAU P00749 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
AKR1C4 P17516 2/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
CSF1R P07333 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3009757 0.87 PLAU (0.45) ERN1HRH4PLAUCA12CA1
SCHEMBL3000396 0.87 RXRA (0.47) ERN1FBP1HRH4RXRARXRB
SCHEMBL2999852 0.74 CYP19A1 (0.49) XDHFBP1HRH4LMNAPOLB
SCHEMBL30849028 0.73 XDH (0.45) ERN1XDHFBP1LMNAPOLB
SCHEMBL30848961 0.73 XDH (0.45) ERN1XDHFBP1LMNAPOLB
SCHEMBL3725119 0.73 PPM1D (0.40) PLAURXRARXRBCSF1R
SCHEMBL3422067 0.73 XDH (0.49) XDHFBP1HRH4LMNA
SCHEMBL1277485 0.70 XDH (0.63) XDHFBP1HRH4POLBMAPT
SCHEMBL3009122 0.70 APEX1 (0.50) XDHFBP1LMNA
SCHEMBL30224780 0.69 XDH (0.40) ERN1XDHFBP1HRH4LMNA

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-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO disclosed