SCHEMBL7054063

SCHEMBL7054063

O=C(NCCc1ccc(O)cc1)NN=NC1=COCC(CCc2ccccc2)=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.41
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
EPHX1 P07099 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL7054896 0.95 NPC1 (0.43) NPC1RAB9AEPHX1CYP2C19KDM4E
SCHEMBL7052462 0.88 NPC1 (0.36) NPC1RAB9AEPHX1KDM4EMEN1
SCHEMBL7058900 0.86 EPHX1 (0.42) NPC1RAB9AEPHX1MEN1KMT2A
SCHEMBL19472678 0.64 FPR2 (0.69) NPC1RAB9AEPHX1CYP2C19KDM4E
SCHEMBL6032606 0.63 EPHX1 (0.85) PLAAT5PLAAT4NPC1RAB9AEPHX1
SCHEMBL974943 0.63 KDM4E (0.62) OPRM1OPRD1OPRK1PLAAT3PLAAT5
SCHEMBL4151866 0.62 GAA (0.74) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL4152553 0.62 TRPV1 (0.78) PLAAT3PLAAT5PLAAT2PLAAT4GAA
SCHEMBL4151976 0.62 GAA (0.74) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL4152627 0.62 TRPV1 (0.78) PLAAT3PLAAT5PLAAT2PLAAT4GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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