SCHEMBL7398461

SCHEMBL7398461

O=[N+]([O-])c1cccc(C(CO)c2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
ACP3 P15309 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43

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
SCHEMBL16396156 0.90 ACP3 (0.59) TP53ACP3L3MBTL1SMN1; SMN2HTT
SCHEMBL17064382 0.81 ACP3 (0.49) ACP3L3MBTL1SMN1; SMN2HTTLMNA
SCHEMBL7805676 0.78 TSHR (0.48) ACP3L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL7229711 0.77 KMT2A (0.54) ACP3L3MBTL1SMN1; SMN2HTTLMNA
SCHEMBL7402172 0.76 L3MBTL1 (0.51) TP53ACP3L3MBTL1SMN1; SMN2HTT
SCHEMBL9154689 0.75 L3MBTL1 (0.62) TP53ACP3L3MBTL1SMN1; SMN2HTT
SCHEMBL16951631 0.75 TSHR (0.53) TP53ACP3L3MBTL1SMN1; SMN2HTT
SCHEMBL2234292 0.75 L3MBTL1 (0.62) TP53ACP3L3MBTL1SMN1; SMN2HTT
SCHEMBL31376571 0.75 L3MBTL1 (0.62) TP53ACP3L3MBTL1SMN1; SMN2HTT
SCHEMBL15617595 0.75 CNR1 (0.56) L3MBTL1SMN1; SMN2LMNAHPGDATM

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-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO disclosed