SCHEMBL5597680

SCHEMBL5597680

O=C(NCCc1ccccc1)Nc1cc(C2CCCC2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
EPHX1 P07099 4/20 0.51
EPHX2 P34913 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
MMP3 P08254 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
CNR1 P21554 1/20 0.46
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 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
SCHEMBL5597651 0.90 EPHX1 (0.43) NPC1RAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL5597567 0.88 MAPK1 (0.54) NPC1RAB9AEPHX1MMP3ROCK2
SCHEMBL5597655 0.84 CNR1 (0.56) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL5597550 0.83 MAPK1 (0.55) EPHX1MMP3ROCK2ROCK1DRD2
SCHEMBL5597769 0.82 MEN1 (0.59) SMN1; SMN2EPHX1TSHRMEN1KMT2A
SCHEMBL5597773 0.82 MAPK1 (0.44) NPC1RAB9ASMN1; SMN2EPHX1MEN1
SCHEMBL5597635 0.80 HDAC3 (0.43) EPHX1EPHX2KMT2AMAPTHDAC1
SCHEMBL5597944 0.80 CNR1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5868034 0.79 ADORA3 (0.48) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL5597560 0.78 MMP3 (0.54) NPC1RAB9ASMN1; SMN2EPHX1MMP3

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