SCHEMBL6946331

SCHEMBL6946331

O=C(COc1cccnc1)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
HPGD P15428 1/20 0.58
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PKM P14618 1/20 0.52
NOTUM Q6P988 2/20 0.51
LMNA P02545 2/20 0.50
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAMPT P43490 1/20 0.49
FAAH O00519 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 2/20 0.48

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
SCHEMBL6944020 0.88 PKM (0.66) KMT2AHPGDALDH1A1KDM4EPKM
SCHEMBL1435186 0.81 HDAC1 (0.64) KMT2AHPGDMEN1LMNAERCC1
SCHEMBL2413773 0.81 HDAC1 (0.65) NAMPT
SCHEMBL1749879 0.80 NR4A2 (0.59) NPSR1SMN1; SMN2
SCHEMBL6204996 0.78 NR4A2 (0.65) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL1566393 0.77 CYP3A4 (0.73) KMT2AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL2412851 0.77 NAMPT (0.60) KMT2AMEN1ALDH1A1LMNANAMPT
SCHEMBL2412396 0.76 HDAC1 (0.70)
SCHEMBL9787292 0.76 LSS (0.70) KMT2AHPGDMEN1ALDH1A1KDM4E
SCHEMBL1567098 0.76 NAMPT (0.67) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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-0974576-B1 Method of producing benzamide derivatives MITSUI CHEMICALS INC (JP) 2003-11-26 EP disclosed
US-6320078-B1 CONVERTING BENZOIC ACID DERIVATIVE INTO BENZOYLIMIDAZOLE DERIVATIVE, REACTING BENZOYLIMIDAZOLE DERIVATIVE WITH PHENYLENEDIAMINE DERIVATIVE TO PREPARE SELECTIVELY MONOACYLATED PHENYLENEDIAMINE DERIVATIVE MITSUI CHEMICALS, INC. (JP) 2001-11-20 US disclosed
EP-0974576-A2 Method of producing benzamide derivatives Mitsui Chemicals, Inc. (JP) 2000-01-26 EP disclosed