SCHEMBL7046340

SCHEMBL7046340

O=[N+]([O-])c1ccc(Cl)cc1-c1[c]cccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
KIF18A Q8NI77 1/20 0.44
PDE7A Q13946 7/20 0.43
PDE7B Q9NP56 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
MITF O75030 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
VCAM1 P19320 1/20 0.40

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
SCHEMBL27542455 0.82 CASP6 (0.45) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL4375599 0.80 ALDH1A1 (0.53) MAPK1L3MBTL1MEN1KMT2AHPGD
SCHEMBL11516745 0.78 MAPK1 (0.69) MAPK1TSHRPDE7APDE7BL3MBTL1
SCHEMBL27276018 0.76 MAPT (0.44) MAPK1TSHRPDE7AL3MBTL1MAPT
SCHEMBL9261807 0.76 ALDH1A1 (0.61) MAPK1TSHRKIF18APDE7APDE7B
SCHEMBL9856911 0.75 PTPN1 (0.40) TSHRMAPTHPGDALDH1A1
SCHEMBL27735807 0.74 MAPK1 (0.59) MAPK1TSHRKIF18APDE7APDE7B
SCHEMBL9798917 0.74 TDP1 (0.46) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL4651024 0.73 MAPK1 (0.53) MAPK1TSHRKIF18APDE7APDE7B
SCHEMBL25941799 0.73 ALDH1A1 (0.58) MAPK1TSHRKIF18APDE7APDE7B

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-1399412-A1 PHOTOLABILE ESTERS AND THEIR USES The Institute of Cancer Research (GB) 2004-03-24 EP disclosed
WO-2003000644-A1 PHOTOLABILE ESTERS AND THEIR USES THE INSTITUTE OF CANCER RESEARCH (GB) 2003-01-03 WO disclosed
EP-0074929-A1 Polycyclic polyazaheterocycles, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1983-03-23 EP disclosed