SCHEMBL7054896

SCHEMBL7054896

O=C(NCCc1ccccc1)NN=NC1=COCC(CCc2ccccc2)=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
EPHX1 P07099 2/20 0.42
EPHX2 P34913 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
P2RX7 Q99572 1/20 0.38
CNR1 P21554 1/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL7054063 0.95 OPRM1 (0.41) NPC1RAB9AEPHX1EPHX2MEN1
SCHEMBL7052462 0.93 NPC1 (0.36) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL7058900 0.91 EPHX1 (0.42) NPC1RAB9AEPHX1EPHX2SMN1; SMN2
SCHEMBL6032606 0.67 EPHX1 (0.85) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL17117307 0.61 EPHX2 (0.80) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL3266407 0.61 EPHX1 (0.68) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL3418508 0.61 EPHX1 (1.00) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL6871572 0.61 EPHX1 (0.67) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL3162629 0.61 EPHX1 (0.67) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL22412530 0.60 PLAAT5 (0.75) NPC1RAB9AEPHX1SMN1; SMN2MEN1

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