SCHEMBL6605168

SCHEMBL6605168

c1ccc2nc(OCC3CO3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.46
▸ GLA P06280 1/20 0.46
▸ TP53 P04637 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DRD4 P21917 1/20 0.43
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL5227754 0.81 MEN1 (0.50) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL6988371 0.73 TDP1 (0.56) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL9199234 0.73 MEN1 (0.61) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL31677377 0.73 TDP1 (0.56) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL6988370 0.73 TDP1 (0.56) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL5229059 0.72 PTGS1 (0.50) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL7697138 0.72 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1HDAC1
SCHEMBL28628097 0.72 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1HDAC1
SCHEMBL887723 0.72 MAPT (0.56) MEN1KMT2AMAPTALDH1A1CYSLTR2
SCHEMBL31531064 0.72 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1TP53

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-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 — — EP claimed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 — — WO claimed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 — — EP disclosed
EP-1326840-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2003-07-16 — — EP disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 — — WO disclosed
WO-2002032874-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 — — WO disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 — — EP disclosed
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