SCHEMBL6007994

SCHEMBL6007994

S=[C]NCN1COc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.35
TSHR P16473 5/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDK1 Q15118 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL6008054 0.84 HPGD (0.38) HPGDCYP2C9ALOX15CYP2C19HIF1A
SCHEMBL11995109 0.75 ABCG2 (0.42) HPGDCYP2C9ALOX15CYP2C19HIF1A
SCHEMBL2432874 0.73 POLB (0.44) HPGDCYP2C9ALOX15CYP2C19HIF1A
SCHEMBL9134742 0.72 CYP2C9 (0.40) HPGDCYP2C9ALOX15CYP2C19HIF1A
SCHEMBL27672516 0.72 HPGD (0.40) HPGDCYP2C9ALOX15CYP2C19HIF1A
SCHEMBL6005124 0.71 P2RX4 (0.38) KMT2AHDAC1HDAC6
SCHEMBL9849606 0.71 KMT2A (0.40) HPGDCYP2C9ALOX15CYP2C19HIF1A
SCHEMBL27861547 0.70 KMT2A (0.39) HPGDCYP2C9ALOX15CYP2C19HIF1A
SCHEMBL31547779 0.69 CYP2C9 (0.39) HPGDCYP2C9ALOX15CYP2C19HIF1A
SCHEMBL27595430 0.69 HPGD (0.39) HPGDCYP2C9ALOX15CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed