SCHEMBL5551707

SCHEMBL5551707

c1cncc(NCCCCn2ccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TBXAS1 P24557 1/20 0.50
▸ QPCT Q16769 5/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CYP11B1 P15538 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL11495035 0.82 SOD1 (0.67) SOD1SMN1; SMN2QPCTNPC1RAB9A
SCHEMBL18457438 0.79 QPCT (0.56) SOD1TBXAS1QPCTNPC1RAB9A
SCHEMBL29973771 0.76 ALDH1A1 (0.54) QPCTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL1525847 0.76 ALDH1A1 (0.54) QPCTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5903394 0.75 NPC1 (0.55) SOD1QPCTNPC1RAB9AATM
SCHEMBL4138098 0.75 SOD1 (0.54) SOD1QPCTNPC1RAB9AATM
SCHEMBL1499525 0.75 MEN1 (0.50) SOD1SMN1; SMN2QPCTMEN1KMT2A
SCHEMBL2539814 0.75 SOD1 (0.57) SOD1SMN1; SMN2TBXAS1QPCTNPC1
SCHEMBL27418532 0.75 HMOX1 (0.61) SOD1TBXAS1QPCTNPC1RAB9A
SCHEMBL9706477 0.74 MEN1 (0.58) SOD1SMN1; SMN2TBXAS1QPCTMEN1

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-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 — — EP disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 — — WO disclosed
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