SCHEMBL7375134

SCHEMBL7375134

CCOC(=O)c1cccnc1Oc1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
LMNA P02545 2/20 0.71
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL7684125 0.93 LMNA (0.62) TSHRSMN1; SMN2LMNAPDE4APDE4B
SCHEMBL5359868 0.83 LMNA (0.60) TSHRSMN1; SMN2LMNAPDE4APDE4B
SCHEMBL4181116 0.83 TSHR (0.64) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL6612468 0.83 TSHR (0.50) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL4828049 0.80 L3MBTL1 (0.49) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL8560540 0.80 GAA (0.62) TSHRALDH1A1NPSR1POLBGAA
SCHEMBL7369514 0.79 CARM1 (0.52) SMN1; SMN2LMNAALDH1A1POLBTDP1
SCHEMBL20831533 0.78 TDP1 (0.72) TSHRLMNAALDH1A1POLBGAA
SCHEMBL6485391 0.78 HSD17B10 (0.48) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL50429 0.78 TSHR (0.53) TSHRSMN1; SMN2LMNAALDH1A1MAPT

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