SCHEMBL5597872

SCHEMBL5597872

O=C(Nc1cc(C2CCCC2)n[nH]1)NC1CCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.45
RAB9A P51151 9/20 0.44
NPC1 O15118 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 2/20 0.43
EPHX2 P34913 4/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL5597868 0.81 DRD4 (0.60) SMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL14235379 0.79 EPHX1 (0.46) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14235385 0.79 EPHX1 (0.43) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5597773 0.77 MAPK1 (0.44) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12643790 0.77 EPHX1 (0.43) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14235479 0.76 EPHX1 (0.48) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5597635 0.76 HDAC3 (0.43) EPHX1ALDH1A1KMT2AHTTEPHX2
SCHEMBL5597610 0.75 KMT2A (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL3567427 0.75 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5597567 0.75 MAPK1 (0.54) EPHX1RAB9ANPC1ALDH1A1

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