SCHEMBL5597635

SCHEMBL5597635

O=C(NCCCCO)Nc1cc(C2CCCC2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
EPHX1 P07099 2/20 0.43
MAPK1 P28482 4/20 0.41
ALPL P05186 3/20 0.38
KMT2A Q03164 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
EPHX2 P34913 3/20 0.34
PKM P14618 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL5597773 0.85 MAPK1 (0.44) EPHX1MAPK1KMT2APKMALDH1A1
SCHEMBL4132955 0.83 MAPK1 (0.49) EPHX1MAPK1EPHX2ALDH1A1HTT
SCHEMBL5597615 0.82 MAPK1 (0.54) EPHX1MAPK1KMT2APKMALDH1A1
SCHEMBL5597680 0.80 NPC1 (0.51) HDAC1HDAC2EPHX1MAPK1KMT2A
SCHEMBL5597651 0.79 EPHX1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5597567 0.77 MAPK1 (0.54) EPHX1MAPK1ALDH1A1
SCHEMBL5597497 0.77 CNR1 (0.49) KMT2AMAPT
SCHEMBL5597671 0.76 KMT2A (0.49) KMT2A
SCHEMBL5597872 0.76 EPHX1 (0.45) EPHX1KMT2AEPHX2PKMALDH1A1
SCHEMBL5597769 0.74 MEN1 (0.59) EPHX1MAPK1KMT2AALDH1A1MAPT

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 11 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
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 disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed
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 disclosed
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 disclosed