SCHEMBL5597878

SCHEMBL5597878

CC(=O)c1cccc(NC(=O)Nc2cc(C3CC3)n[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALOX15 P16050 2/20 0.51
PKM P14618 2/20 0.51
ALDH1A1 P00352 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
HTT P42858 3/20 0.50
EPHX2 P34913 2/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL5597764 0.91 NPC1 (0.53) MEN1KMT2ANPC1RAB9AEPHX2
SCHEMBL7050959 0.89 HDAC6 (0.44) MEN1KMT2AALOX15PKMNPC1
SCHEMBL5597514 0.85 TRPV1 (0.44) MEN1KMT2AALDH1A1HTTEPHX2
SCHEMBL5597907 0.85 DDX3X (0.57) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL5597942 0.85 TP53 (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5597681 0.84 TP53 (0.54) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5597503 0.83 AAK1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL5597634 0.82 KCNJ6 (0.41) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL5597880 0.81 RXFP1 (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5597510 0.80 KCNJ6 (0.41) MEN1KMT2AALDH1A1HTTMAPT

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 8 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
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed