SCHEMBL5597672

SCHEMBL5597672

O=C(Nc1cc(CCc2ccccc2)n[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
NPSR1 Q6W5P4 3/20 0.62
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 2/20 0.56
PHGDH O43175 4/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CCR6 P51684 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
SERPINE1 P05121 1/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.46
ALOX12 P18054 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ENPP2 Q13822 1/20 0.45
CYP3A4 P08684 2/20 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
SCHEMBL5597876 0.80 MAPT (0.60) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL5597895 0.77 MAPT (0.52) MAPTGAAMAPK1MEN1KMT2A
SCHEMBL5597478 0.75 FAAH (0.61) MAPTNPSR1MAPK1LMNAALDH1A1
SCHEMBL5597630 0.75 NPSR1 (0.47) MAPTNPSR1GAAMAPK1MEN1
SCHEMBL5597639 0.74 FAAH (0.49) MAPTNPSR1MAPK1TDP1ALDH1A1
SCHEMBL5597558 0.74 PKM (0.46) MAPTNPSR1GAAMAPK1MEN1
SCHEMBL15911569 0.74 MAPT (0.67) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL5597622 0.73 POLB (0.51) MAPTNPSR1MAPK1LMNACYP2D6
SCHEMBL7113264 0.73 MAPT (0.53) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL28322333 0.73 MAPT (0.69) MAPTNPSR1GAAL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP claimed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP claimed
JP-2003507328-A 2003-02-25 JP claimed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US claimed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP claimed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO claimed
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP disclosed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP disclosed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO disclosed