SCHEMBL7374239

SCHEMBL7374239

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 6/20 0.56
NPSR1 Q6W5P4 3/20 0.56
TDP1 Q9NUW8 1/20 0.51
KDR P35968 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F10 P00742 1/20 0.45

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
SCHEMBL7367524 0.85 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1NPSR1TDP1
SCHEMBL7366037 0.85 KMT2A (0.66) KMT2AMEN1ALDH1A1TDP1KDR
SCHEMBL7370199 0.81 TDP1 (0.52) KMT2AMEN1ALDH1A1NPSR1TDP1
SCHEMBL3454297 0.81 CYP1A2 (0.62) KMT2AALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL20831533 0.81 TDP1 (0.72) ALDH1A1TDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL7366578 0.80 TDP1 (0.50) KMT2AALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL7373604 0.80 TDP1 (0.50) KMT2AALDH1A1NPSR1TDP1L3MBTL1
SCHEMBL7366824 0.80 TDP1 (0.50) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL7372301 0.80 TDP1 (0.50) KMT2AALDH1A1NPSR1TDP1L3MBTL1
SCHEMBL7373877 0.79 ELANE (0.53) ALDH1A1TDP1L3MBTL1CYP1A2CYP2C9

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