SCHEMBL5597764

SCHEMBL5597764

O=C(Nc1cccc(C(=O)O)c1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
CBS P35520 1/20 0.51
PAX8 Q06710 2/20 0.50
KLF5 Q13887 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HPSE Q9Y251 1/20 0.49
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MITF O75030 2/20 0.47
EPHX2 P34913 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
APEX1 P27695 1/20 0.45
KCNJ6 P48051 3/20 0.44
KCNJ3 P48549 3/20 0.44
KCNJ5 P48544 2/20 0.44
GSK3B P49841 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
SCHEMBL5597878 0.91 MEN1 (0.53) NPC1RAB9ASMN1; SMN2EPHX2MEN1
SCHEMBL7050959 0.89 HDAC6 (0.44) NPC1RAB9AHPSEMEN1KMT2A
SCHEMBL5597942 0.87 TP53 (0.47) NPC1RAB9ASMN1; SMN2LMNAEPHX2
SCHEMBL5597514 0.85 TRPV1 (0.44) LMNAEPHX2MEN1KMT2AKCNJ6
SCHEMBL5597907 0.85 DDX3X (0.57) SMN1; SMN2LMNAMEN1KMT2AKCNJ6
SCHEMBL5597634 0.82 KCNJ6 (0.41) LMNAMEN1KMT2AKCNJ6KCNJ3
SCHEMBL5597880 0.81 RXFP1 (0.44) NPC1RAB9AMEN1KMT2AKCNJ6
SCHEMBL5597681 0.81 TP53 (0.54) NPC1RAB9ASMN1; SMN2LMNAMITF
SCHEMBL5597503 0.81 AAK1 (0.45) SMN1; SMN2LMNAMEN1KMT2AKCNJ6
SCHEMBL5597870 0.80 KDM4E (0.44) NPC1RAB9ACBSSMN1; SMN2LMNA

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 8 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
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed