SCHEMBL7219970

SCHEMBL7219970

CN[C@H]1CCN(Cc2ccc3ncnc(Cl)c3c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.39
F2 P00734 3/20 0.38
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 2/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PLG P00747 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
SCHEMBL7452322 1.00 F10 (0.39) F10F2FNTAFNTBPGGT1B
SCHEMBL27502976 0.83 F10 (0.36) F10
SCHEMBL7213599 0.83 F10 (0.49) F10F2PLG
SCHEMBL7219969 0.80 CNR1 (0.38) F10ALDH1A1
SCHEMBL7452311 0.80 CNR1 (0.38) F10ALDH1A1
Trifluoroacetic Acid SCHEMBL7219250 0.80 F10 (0.41) F10F2
SCHEMBL7215834 0.78 F10 (0.54) F10F2FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL7568139 0.77 EGFR (0.46) CYP3A4ALDH1A1
SCHEMBL7214115 0.76 F10 (0.53) F10F2FNTAFNTBPGGT1B
SCHEMBL7937461 0.73 HDAC1 (0.56) F10FNTAFNTBPGGT1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
WO-2001039759-A2 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-07 WO disclosed