SCHEMBL3815218

SCHEMBL3815218

[CH2]Cc1ccc2ocnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 1/20 0.60
DYRK1A Q13627 2/20 0.45
CTNNB1 P35222 4/20 0.43
WNT3A P56704 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TRPM5 Q9NZQ8 1/20 0.38
NAMPT P43490 1/20 0.38
LMNA P02545 1/20 0.35
MCHR1 Q99705 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
QPCT Q16769 1/20 0.33
NTRK1 P04629 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32

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
SCHEMBL5546041 0.85 MEN1 (0.57) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL3815115 0.85 DYRK1A (0.45) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL5539240 0.82 MEN1 (0.54) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL5542687 0.81 MEN1 (0.53) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL2760570 0.81 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL2358986 0.81 MEN1 (0.65) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL31430609 0.81 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL506532 0.81 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL2620971 0.81 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL30917349 0.81 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP disclosed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN disclosed
WO-2007115805-A2 AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-18 WO disclosed
WO-2007113005-A2 2-SUBSTITUTED 3-AMINOSULFONYL-THIOPHENE DERIVATIVES AS AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-11 WO disclosed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
CN-1226888-A Fluorinated 1,4-disubstituted piperidine derivatives BANYU PHARMA CO LTD (JP) 1999-08-25 CN disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed