SCHEMBL4064682

SCHEMBL4064682

Cc1ccccc1NC(=O)[CH]Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
MMP1 P03956 2/20 0.56
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
EGFR P00533 1/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
KMT2A Q03164 2/20 0.54
POLB P06746 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ITGB3 P05106 2/20 0.51
ITGAV P06756 2/20 0.51
ITGB1 P05556 1/20 0.50
ITGA5 P08648 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALOX12 P18054 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL22412505 0.84 CYP2C9 (0.49) HPGDKMT2APOLBALDH1A1ALOX12
SCHEMBL22412637 0.79 CXCR2 (0.43) HPGDRAB9ANPC1KMT2APOLB
SCHEMBL4067815 0.78 TGM2 (0.55) MMP1MMP2MMP9EGFRKMT2A
SCHEMBL26640096 0.78 NPC1 (0.62) HPGDMMP1MMP2MMP9EGFR
SCHEMBL9712813 0.77 NPC1 (0.67) HPGDMMP1MMP2MMP9EGFR
SCHEMBL27479697 0.75 NPC1 (0.64) HPGDMMP1MMP2MMP9EGFR
SCHEMBL6582849 0.75 MAOB (0.43) HPGDMMP1MMP2MMP9RAB9A
SCHEMBL4064577 0.75 KMT2A (0.64) HPGDRAB9ANPC1KMT2APOLB
SCHEMBL5176479 0.75 MMP1 (0.71) HPGDMMP1MMP2MMP9EGFR
SCHEMBL9360564 0.75 MMP1 (0.71) HPGDMMP1MMP2MMP9EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed