SCHEMBL1435504

SCHEMBL1435504

O=C(C=Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
MAOB P27338 2/20 0.54
CSNK2A1 P68400 4/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 4/20 0.53
NQO2 P16083 1/20 0.50
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL1435550 0.88 CYP1B1 (0.57) MAPTMAOBMEN1KMT2AALDH1A1
SCHEMBL7444589 0.79 CSNK2A1 (0.59) MAPTMAOBCSNK2A1MEN1KMT2A
SCHEMBL7431073 0.77 CSNK2A1 (0.57) MAPTMAOBCSNK2A1MEN1KMT2A
SCHEMBL22352682 0.76 MAOA (0.58) MAPTMAOBCSNK2A1MEN1KMT2A
SCHEMBL1435403 0.76 CYP1B1 (0.54) MAPTMAOBMEN1KMT2AALDH1A1
SCHEMBL1435687 0.76 MAPT (0.60) MAPTMAOBMEN1KMT2AALDH1A1
SCHEMBL1435433 0.76 TP53 (0.53) MAPTMAOBMEN1KMT2AALDH1A1
SCHEMBL4098407 0.74 MEN1 (0.68) MAPTMAOBCSNK2A1MEN1KMT2A
SCHEMBL4098410 0.74 MEN1 (0.68) MAPTMAOBCSNK2A1MEN1KMT2A
SCHEMBL7431076 0.74 CSNK2A1 (0.56) MAPTMAOBCSNK2A1MEN1KMT2A

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-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP claimed
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP disclosed