SCHEMBL7055374

SCHEMBL7055374

O=C(NN=NC1=COCC(CCc2ccccc2)=C1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.46
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.39

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 0.89 KDM4E (0.40) FAAHKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL7119511 0.89 NPC1 (0.39) FAAHPKMALDH1A1NPC1RAB9A
SCHEMBL7113264 0.76 MAPT (0.53) MAPTNPSR1ALDH1A1LMNAMAPK1
SCHEMBL1821860 0.65 FAAH (0.70) FAAHKDM4EMAPTCA12CA2
SCHEMBL14190802 0.64 KDM4E (0.76) FAAHKDM4EMAPTCA12CA2
SCHEMBL3596348 0.64 FAAH (1.00) FAAHKDM4EMAPTCA12CA2
Water SCHEMBL6743398 0.64 FAAH (0.68) FAAHKDM4EMAPTCA12CA2
SCHEMBL6703867 0.63 FAAH (0.55) FAAHKDM4EMAPTCA12CA2
SCHEMBL2850013 0.63 ALDH1A1 (0.70) FAAHKDM4EMAPTALDH1A1LMNA
SCHEMBL10825084 0.63 ALDH1A1 (0.70) FAAHKDM4EMAPTALDH1A1LMNA

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