SCHEMBL11086288

SCHEMBL11086288

CCOC(=O)CNC(=O)Oc1c(Cl)cc(Cl)c2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
HIF1A Q16665 1/20 0.56
HTT P42858 6/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
ALOX12 P18054 3/20 0.52
CCR6 P51684 1/20 0.52
HSP90AA1 P07900 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 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
SCHEMBL11082825 0.83 KDM4E (0.61) KDM4EHTTALDH1A1LMNASMN1; SMN2
SCHEMBL11082680 0.83 ALDH1A1 (0.50) KDM4EHTTALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11086793 0.83 KDM4E (0.60) KDM4EHTTALDH1A1LMNASMN1; SMN2
SCHEMBL9996252 0.81 KDM4E (0.60) KDM4EHIF1AHTTALDH1A1LMNA
SCHEMBL11083870 0.80 KDM4E (0.57) KDM4EHTTALDH1A1LMNASMN1; SMN2
SCHEMBL11090971 0.80 KDM4E (0.65) KDM4EHIF1AHTTALDH1A1LMNA
SCHEMBL4459991 0.76 KDM4E (0.70) KDM4EHIF1AHTTALDH1A1LMNA
SCHEMBL9996591 0.75 HIF1A (0.60) KDM4EHIF1AHTTALDH1A1LMNA
SCHEMBL11084416 0.74 HSP90AA1 (0.55) KDM4EHTTALDH1A1LMNASMN1; SMN2
SCHEMBL9996625 0.74 KDM4E (0.57) KDM4EHIF1AHTTALDH1A1LMNA

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
US-4472404-A BACTERICIDES, FUNGICIDES; UROGENITAL DISORDERS THE DOW CHEMICAL COMPANY (US) 1984-09-18 US claimed
US-4472404-A BACTERICIDES, FUNGICIDES; UROGENITAL DISORDERS THE DOW CHEMICAL COMPANY (US) 1984-09-18 US disclosed