SCHEMBL6964228

SCHEMBL6964228

O=[N+]([O-])c1c[c]c(Sc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.49
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
CYP19A1 P11511 1/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CRHBP P24387 1/20 0.40
ATM Q13315 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALOX12 P18054 1/20 0.40
PDE7B Q9NP56 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.36

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
SCHEMBL268150 0.76 MEN1 (0.68) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL6963075 0.75 HSD17B10 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT
Diphenylsulfane SCHEMBL27732156 0.70 MEN1 (0.55) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL9710324 0.70 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AMAPT
Phosphonic Acid SCHEMBL11661426 0.69 MEN1 (0.58) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL10706021 0.69 TSHR (0.42) ALDH1A1LMNAMAPTL3MBTL1ATM
SCHEMBL8729226 0.69 ALDH1A1 (0.62) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL2887765 0.68 HSP90AA1 (0.69) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL4163474 0.67 MAPT (0.79) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL3328543 0.67 MAPT (0.79) PDE7AALDH1A1LMNAMEN1KMT2A

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-0240680-A1 Diaryl sulfide derivatives BAYER AG (DE) 1987-10-14 EP disclosed