SCHEMBL5597432

SCHEMBL5597432

O=C(NCCN1CCOCC1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CNR1 P21554 1/20 0.52
LMNA P02545 2/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX2 P34913 2/20 0.43
SHMT2 P34897 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KCNH2 Q12809 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MAPT P10636 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL5597497 0.90 CNR1 (0.49) CNR1KMT2AMAPT
SCHEMBL5597671 0.89 KMT2A (0.49) CNR1KMT2A
SCHEMBL5597521 0.77 CYP2C9 (0.43) SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL5597615 0.76 MAPK1 (0.54) SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL4132955 0.74 MAPK1 (0.49) EPHX2ALDH1A1
SCHEMBL5597773 0.74 MAPK1 (0.44) SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL5597612 0.73 POLB (0.42) SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL5597635 0.72 HDAC3 (0.43) LMNAKMT2AEPHX2ALDH1A1MAPT
SCHEMBL5597550 0.71 MAPK1 (0.55) LMNA
SCHEMBL5597655 0.70 CNR1 (0.56) SMN1; SMN2CNR1LMNAKMT2ATP53

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