SCHEMBL5597898

SCHEMBL5597898

COc1ccc(CCNC(=O)Nc2cc(CCc3ccccc3)n[nH]2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
ALDH1A1 P00352 2/20 0.54
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 2/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
TRPM5 Q9NZQ8 1/20 0.49

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
SCHEMBL5597560 0.87 MMP3 (0.54) CNR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5597468 0.84 MMP3 (0.49) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5597770 0.78 MMP3 (0.50) POLBMAPK1
SCHEMBL5597688 0.78 MMP3 (0.49) CNR1ALDH1A1NPC1RAB9AMAPT
SCHEMBL5597769 0.77 MEN1 (0.59) CNR1ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL17117338 0.77 PLAAT3 (0.74) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL17117410 0.76 PLAAT3 (0.72) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9781759 0.74 CA12 (0.69) CNR1ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL6375210 0.73 KMT2A (0.81) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7274134 0.73 NPC1 (0.85) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4

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 7 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
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US 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