SCHEMBL4986203

SCHEMBL4986203

Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Sc2ccc(NC(=O)O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 11/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
GAA P10253 3/20 0.53
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.48
PDE7A Q13946 1/20 0.45
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL4976616 0.90 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1454123 0.85 MAPT (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4975567 0.83 MAPT (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4986213 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1455459 0.80 MAPT (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1455627 0.79 MAPT (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4985967 0.78 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1454676 0.78 MAPT (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11957598 0.77 MAPT (0.72) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1456215 0.77 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; 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-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed