SCHEMBL7369450

SCHEMBL7369450

NC(=O)c1scc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.39
CDC7 O00311 5/20 0.39
CDK2 P24941 5/20 0.39
PLK4 O00444 4/20 0.39
ROCK2 O75116 4/20 0.39
PRKD3 O94806 4/20 0.39
MAP4K4 O95819 4/20 0.39
INSR P06213 4/20 0.39
CDK1 P06493 4/20 0.39
PIM1 P11309 4/20 0.39
PRKACA P17612 4/20 0.39
RPS6KB1 P23443 4/20 0.39
KDR P35968 4/20 0.39
CSNK1D P48730 4/20 0.39
CLK2 P49760 4/20 0.39
LIMK1 P53667 4/20 0.39
CSNK2A1 P68400 4/20 0.39
CDK5 Q00535 4/20 0.39
STK3 Q13188 4/20 0.39
ROCK1 Q13464 4/20 0.39

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
SCHEMBL787848 0.79 GPR35 (0.47) MAPK1KMT2AALDH1A1MEN1TSHR
SCHEMBL8655624 0.78 F10 (0.40) GSK3BCDC7CDK2PLK4ROCK2
SCHEMBL11602617 0.77 RAB9A (0.36) GSK3BKMT2AALDH1A1MAPTHTT
SCHEMBL7044916 0.76 GPR35 (0.36) GSK3BMAPK1KMT2AGPR35DAO
SCHEMBL11603489 0.74 GSK3B (0.55) GSK3BMAPK1ALDH1A1
SCHEMBL11617019 0.72 GSK3B (0.55) GSK3BKMT2AALDH1A1MAPTMEN1
SCHEMBL14392386 0.69 KDM4E (0.71) MAPK1KMT2AALDH1A1MAPTNPSR1
SCHEMBL2225907 0.68
SCHEMBL7030961 0.67 ALDH1A1 (0.46) GSK3BCDC7CDK2PLK4ROCK2
SCHEMBL7039136 0.66 GPR35 (0.40) MAPK1KMT2AALDH1A1MAPTMEN1

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-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
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN 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