SCHEMBL7400686

SCHEMBL7400686

CCOc1cc(NC2CCCCC2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4193485 0.81 POLB (0.60) MEN1KMT2A
SCHEMBL17048402 0.81 PTGS1 (0.51) APOBEC3GALDH1A1HPGDKDM4EMAPT
SCHEMBL27589069 0.80 TDP1 (0.61) APOBEC3GALDH1A1HPGDMAPTMEN1
SCHEMBL8063654 0.80 ULK1 (0.50) PDGFRBPDGFRAKDM4EMAPTMEN1
SCHEMBL30352677 0.78 PDE4B (0.48)
SCHEMBL15934278 0.78 ALDH1A1 (0.49) APOBEC3GALDH1A1HPGDPDGFRBPDGFRA
SCHEMBL17048144 0.78 KMT2A (0.57) ALDH1A1HPGDPDGFRBPDGFRAKDM4E
Cyclopentanone SCHEMBL17048275 0.77 PTGS1 (0.47) APOBEC3GALDH1A1HPGDMAPTMEN1
SCHEMBL9028851 0.76 ADRA1D (0.55) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL17048156 0.76 KMT2A (0.55) ALDH1A1HPGDPDGFRBPDGFRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001064648-A1 ISOQUINOLINE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-07 WO disclosed