SCHEMBL7494819

SCHEMBL7494819

O=C(O)N1CCN(C(=O)NCCc2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TPSAB1 Q15661 3/20 0.48
▸ TPSD1 Q9BZJ3 2/20 0.48
▸ TPSG1 Q9NRR2 2/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL1313894 0.84 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2AHSD17B10RAB9A
SCHEMBL29104598 0.82 KMT2A (0.67) SMN1; SMN2MEN1KMT2ATPSAB1TPSD1
SCHEMBL27544651 0.80 THRB (0.64) MEN1KMT2APOLBTDP1THRB
SCHEMBL1678005 0.78 NAMPT (0.51) RAB9ATPSAB1TDP1NAMPTITGB3
SCHEMBL1677790 0.78 NAMPT (0.51) RAB9ATPSAB1TDP1NAMPTITGB3
SCHEMBL13873511 0.77 HTR2A (0.53) SMN1; SMN2HSD17B10TDP1NAMPTALDH1A1
SCHEMBL1677593 0.76 KMT2A (0.60) SMN1; SMN2MEN1KMT2AHSD17B10TPSAB1
SCHEMBL334426 0.76 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AHSD17B10RAB9A
SCHEMBL311932 0.75 GAA (0.67) SMN1; SMN2MEN1KMT2ARAB9ATPSAB1
SCHEMBL31298090 0.75 KDM4E (0.66) KMT2AHSD17B10TPSAB1HTTALDH1A1

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-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 — — EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 — — WO disclosed
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