SCHEMBL5597688

SCHEMBL5597688

O=C(NCCCCO)Nc1cc(CCc2ccccc2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.49
KMT2A Q03164 8/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
EPHX1 P07099 1/20 0.47
CNR1 P21554 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
KIT P10721 2/20 0.45
PDGFRA P16234 2/20 0.45
KDR P35968 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5597560 0.89 MMP3 (0.54) MMP3KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5597919 0.86 PARP1 (0.46) MMP3KMT2AMEN1ALDH1A1LMNA
SCHEMBL5597770 0.84 MMP3 (0.50) MMP3HTTKDM4EEPHX1ROCK2
SCHEMBL5597468 0.84 MMP3 (0.49) MMP3KMT2AMEN1SMN1; SMN2EPHX1
SCHEMBL5597898 0.78 CNR1 (0.55) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL5597621 0.75 EPHX1 (0.50) KMT2AMEN1ALDH1A1TP53HTT
SCHEMBL5597630 0.72 NPSR1 (0.47) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL5597558 0.71 PKM (0.46) KMT2AMEN1ALDH1A1TP53SMN1; SMN2
SCHEMBL5597622 0.71 POLB (0.51) ALDH1A1LMNASMN1; SMN2KDM4EMAPK1
SCHEMBL5597594 0.70 CYP2C9 (0.51) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1

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