SCHEMBL7113264

SCHEMBL7113264

O=C(NN=NC1=COCC(CCc2ccccc2)=C1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
CCR6 P51684 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 2/20 0.42
ALOX12 P18054 2/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
PHGDH O43175 4/20 0.40

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
SCHEMBL7055544 0.77 KDM4E (0.40) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7119511 0.77 NPC1 (0.39) GAAMEN1KMT2ATDP1HTT
SCHEMBL7055374 0.76 FAAH (0.46) MAPTNPSR1MAPK1KMT2ALMNA
SCHEMBL5597672 0.73 MAPT (0.62) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL15911569 0.70 MAPT (0.67) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL28322333 0.69 MAPT (0.69) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL3730926 0.64 MAPT (0.61) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL30301697 0.64 MAPT (0.61) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL2628833 0.64 MAPT (0.67) MAPTNPSR1GAAL3MBTL1TDP1
SCHEMBL7054063 0.64 OPRM1 (0.41) GAAMEN1KMT2ACYP2C19CYP3A4

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