SCHEMBL5597769

SCHEMBL5597769

COc1ccc(CCNC(=O)Nc2cc(C3CCCC3)n[nH]2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
EPHX1 P07099 1/20 0.59
CNR1 P21554 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HTT P42858 3/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5597471 0.86 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL5597680 0.82 NPC1 (0.51) MEN1KMT2AEPHX1CNR1SMN1; SMN2
SCHEMBL5867989 0.79 ALPL (0.55) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL5597773 0.79 MAPK1 (0.44) MEN1KMT2AEPHX1SMN1; SMN2MAPT
SCHEMBL5597670 0.78 TRPV1 (0.50) HPGDMAPK1ALDH1A1
SCHEMBL5597898 0.77 CNR1 (0.55) MEN1KMT2ACNR1SMN1; SMN2POLB
SCHEMBL5597565 0.77 MAPT (0.52) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL5597655 0.76 CNR1 (0.56) MEN1KMT2ACNR1SMN1; SMN2POLB
SCHEMBL12196157 0.74 EPHX1 (1.00) MEN1KMT2AEPHX1CNR1SMN1; SMN2
SCHEMBL5597567 0.73 MAPK1 (0.54) EPHX1HPGDMAPK1ALDH1A1

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