SCHEMBL8847597

SCHEMBL8847597

CCOC(=O)Cc1csc(-c2ncccc2O)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.58
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
ESR2 Q92731 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 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
SCHEMBL8847566 0.83 KMT2A (0.54) KMT2AMEN1LMNATP53HTT
SCHEMBL8847537 0.83 MEN1 (0.54) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL3368044 0.82 EGLN1 (0.69) EGLN1LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL31578900 0.81 GAA (0.55) KMT2AMEN1LMNATP53HTT
SCHEMBL9823475 0.81 RAB9A (0.54) EGLN1KMT2AMEN1LMNAALDH1A1
SCHEMBL6311629 0.77 MAPT (0.66) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL11632159 0.77 MAPT (0.55) KMT2AMEN1TP53ALDH1A1CYP2C9
SCHEMBL8613865 0.76 MEN1 (0.56) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL31578699 0.76 ALDH1A1 (0.48) KMT2AMEN1LMNATP53HTT
SCHEMBL8847666 0.76 MAPT (0.53) KMT2AMEN1LMNATP53HTT

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
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