SCHEMBL7230484

SCHEMBL7230484

CCOc1ccc(C(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 15/20 0.76
PDGFRA P16234 15/20 0.76
FGFR1 P11362 1/20 0.59
FLT3 P36888 4/20 0.58
HDAC6 Q9UBN7 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52

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
SCHEMBL6870484 0.86 PDGFRB (1.00) PDGFRBPDGFRAFGFR1FLT3PRKCE
SCHEMBL5716684 0.82 PDGFRB (0.64) PDGFRBPDGFRAFGFR1FLT3HDAC6
SCHEMBL10646484 0.81 PDGFRB (0.53) PDGFRBPDGFRAFGFR1FLT3HDAC6
SCHEMBL5716749 0.80 PDGFRB (0.72) PDGFRBPDGFRAFGFR1FLT3HDAC6
SCHEMBL2729915 0.79 FLT3 (0.79) PDGFRBPDGFRAFGFR1FLT3HDAC6
SCHEMBL15558759 0.78 FLT3 (0.71) PDGFRBPDGFRAFGFR1FLT3HDAC6
SCHEMBL7066259 0.78 FLT3 (0.71) PDGFRBPDGFRAFGFR1FLT3HDAC6
SCHEMBL19307573 0.78 MAOB (0.62) PDGFRBPDGFRAKMT2A
SCHEMBL19307571 0.78 MAOB (0.62) PDGFRBPDGFRAKMT2A
SCHEMBL6168456 0.77 MEN1 (0.70) PDGFRBPDGFRAFGFR1FLT3HDAC6

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
US-6548505-B1 Protecting biological materials from damage caused by radiation; side effect reduction during radiotherapy or chemotherapy; indole, benzimidazole, benzoxazole or benzothiazole compounds substituted with 4-alkylpiperazino PETER MACCALLUM CANCER INSTITUTE (AU) 2003-04-15 US disclosed