SCHEMBL6645331

SCHEMBL6645331

O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
POLB P06746 1/20 0.71
LMNA P02545 1/20 0.61
AKR1C3 P42330 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
FAAH O00519 1/20 0.51

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
SCHEMBL20379965 0.96 KMT2A (0.76) MEN1KMT2APOLBLMNAAKR1C3
SCHEMBL29941108 0.86 KMT2A (0.82) MEN1KMT2APOLBAKR1C3SMN1; SMN2
SCHEMBL21067983 0.86 KMT2A (0.82) MEN1KMT2APOLBAKR1C3SMN1; SMN2
SCHEMBL6650042 0.82 KMT2A (0.70) MEN1KMT2APOLBAKR1C3SMN1; SMN2
SCHEMBL693455 0.80 KMT2A (1.00) MEN1KMT2APOLBAKR1C3SMN1; SMN2
SCHEMBL7647926 0.79 KMT2A (0.55) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL20389408 0.77 KMT2A (0.77) MEN1KMT2APOLBAKR1C3SMN1; SMN2
SCHEMBL12793350 0.77 KMT2A (0.77) MEN1KMT2APOLBLMNAAKR1C3
SCHEMBL13302259 0.77 KMT2A (0.77) MEN1KMT2APOLBLMNAAKR1C3
SCHEMBL5915341 0.77 KMT2A (0.77) MEN1KMT2APOLBAKR1C3SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483244-A1 CYCLIC N-SUBSTITUTED ALPHA IMINOCARBOXYLIC ACIDS FOR SELECTIVELY INHIBITING COLLAGENASE Aventis Pharma Deutschland GmbH (DE) 2004-12-08 EP disclosed
WO-2003074489-A1 CYCLIC N-SUBSTITUTED ALPHA IMINOCARBOXYLIC ACIDS FOR SELECTIVELY INHIBITING COLLAGENASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-12 WO disclosed