SCHEMBL4989265

SCHEMBL4989265

CCCc1ncc(C(=O)OCC)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.55
DBF4 Q9UBU7 3/20 0.55
HSP90AA1 P07900 1/20 0.44
RECQL P46063 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SLC5A2 P31639 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
OGA O60502 1/20 0.38
NUDT1 P36639 1/20 0.38
LMNA P02545 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL28267334 0.91 CDC7 (0.52) CDC7DBF4HSP90AA1RECQLHDAC3
SCHEMBL21199675 0.89 CDC7 (0.51) CDC7DBF4HSP90AA1HDAC3HDAC4
SCHEMBL11725742 0.88 CDC7 (0.50) CDC7DBF4HSP90AA1HDAC3HDAC4
SCHEMBL21199652 0.88 CDC7 (0.50) CDC7DBF4HSP90AA1HDAC3HDAC4
SCHEMBL1912617 0.87 CDC7 (0.57) CDC7DBF4HDAC3HDAC4HDAC1
SCHEMBL11679879 0.86 L3MBTL1 (0.47) CDC7DBF4ALDH1A1SMN1; SMN2MAPT
SCHEMBL3843901 0.85 CDC7 (0.56) CDC7DBF4HDAC3HDAC4HDAC1
SCHEMBL5887745 0.85 NPSR1 (0.40) CDC7DBF4RECQLALDH1A1SMN1; SMN2
SCHEMBL19590880 0.85 CDC7 (0.50) CDC7DBF4HSP90AA1HDAC3HDAC4
SCHEMBL5911684 0.84 CDC7 (0.55) CDC7DBF4HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984360-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS Eli Lilly & Company (US) 2008-10-29 EP disclosed
WO-2007092751-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-16 WO disclosed
US-4046902-A VASODILATORS ROUSSEL UCLAF (FR) 1977-09-06 US disclosed
US-4045567-A 2-Alkyl-5-thiazole-carboxylic acid derivatives in hypolipemiant compositions ROUSSEL UCLAF (FR) 1977-08-30 US disclosed
US-3966950-A ALPHA-ADRENOLYTIC ACTIVITY ROUSSEL-UCLAF (FR) 1976-06-29 US disclosed
US-3957809-A VASODILATORS ROUSSEL-UCLAF (FR) 1976-05-18 US disclosed