SCHEMBL7375340

SCHEMBL7375340

O=[N+]([O-])c1cc(Nc2ccc(O)cc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.50
GUCY1A2 P33402 1/20 0.50
GUCY1A1 Q02108 1/20 0.50
GUCY1B1 Q02153 1/20 0.50
ALK Q9UM73 1/20 0.48
MAPT P10636 6/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
MAPK1 P28482 3/20 0.45
PKM P14618 1/20 0.45
ATM Q13315 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TLR9 Q9NR96 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL25822003 0.85 MAPT (0.46) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL9335542 0.80 MAPK14 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ALK
SCHEMBL3862889 0.76 ALDH1A1 (0.44) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL4221657 0.72 HPGD (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ALK
SCHEMBL13977986 0.71 AURKA (0.46) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL21311923 0.70 ALOX15 (0.46) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL30336 0.69 MAPT (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MAPT
SCHEMBL25826396 0.69 HPGD (0.53) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL4730262 0.69 TSHR (0.47) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL27500826 0.69 MEN1 (0.56) MAPTALDH1A1KMT2AMEN1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814651-A PHOSPHODIESTERASE TYPE FOUR INHIBITORS PFIZER INC. (US) 1998-09-29 US disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
CN-1094028-A Selective PDE enzyme (IV) inhibitor catechol diether class PFIZER (US) 1994-10-26 CN disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed