SCHEMBL7367524

SCHEMBL7367524

CCOC(=O)c1cccnc1Oc1cccc(C(C)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
F10 P00742 3/20 0.54
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL7365841 0.87 F10 (0.52) ALDH1A1NPSR1MEN1KMT2AF10
SCHEMBL7374239 0.85 KMT2A (0.60) ALDH1A1NPSR1MEN1KMT2AF10
SCHEMBL7369272 0.85 L3MBTL1 (0.50) ALDH1A1NPSR1KMT2ATDP1NPC1
SCHEMBL7370199 0.84 TDP1 (0.52) ALDH1A1NPSR1MEN1KMT2AF10
SCHEMBL3454297 0.84 CYP1A2 (0.62) ALDH1A1KMT2AF10TDP1NPC1
SCHEMBL7373877 0.84 ELANE (0.53) ALDH1A1F10TDP1NPC1SMN1; SMN2
SCHEMBL7374880 0.84 MEN1 (0.63) ALDH1A1MEN1KMT2AF10TDP1
SCHEMBL20831533 0.83 TDP1 (0.72) ALDH1A1TDP1HTTCYP1A2CYP2C9
SCHEMBL7366824 0.82 TDP1 (0.50) ALDH1A1MEN1KMT2AF10TDP1
SCHEMBL7366578 0.82 TDP1 (0.50) ALDH1A1KMT2AF10TDP1NPC1

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
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed