SCHEMBL3368044

SCHEMBL3368044

O=C(O)Cc1csc(-c2ncccc2O)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.69
KDM4E B2RXH2 5/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 2/20 0.48
GABRA5 P31644 1/20 0.45
GABRB2 P47870 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
SCHEMBL8847597 0.82 EGLN1 (0.58) EGLN1LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3371417 0.82 EGLN1 (1.00) EGLN1KDM4ELMNAALDH1A1HPGD
SCHEMBL8847516 0.80 KDM4E (0.58) EGLN1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL8848249 0.80 KDM4E (0.59) EGLN1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9823339 0.78 EGLN1 (0.53) EGLN1KDM4ELMNAALDH1A1
SCHEMBL19327449 0.77 LMNA (0.54) EGLN1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6648649 0.76 KDM4E (0.54) EGLN1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL1422234 0.74 LMNA (0.74) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL11392035 0.73 KDM4E (0.63) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL22940438 0.73 PDE10A (0.54) EGLN1KDM4EALDH1A1HPGDHSD17B10

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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed
US-5620968-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-04-15 US disclosed
US-5527792-A CARBA- AND OXACEPHALOSPORINS ELI LILLY AND COMPANY (US) 1996-06-18 US disclosed
US-5525599-A BACTERICIDES ELI LILLY AND COMPANY (US) 1996-06-11 US disclosed