SCHEMBL14384682

SCHEMBL14384682

CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
POLB P06746 2/20 0.66
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
GAA P10253 1/20 0.55
AHR P35869 1/20 0.55
IDO1 P14902 1/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PLA2G7 Q13093 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
SCHEMBL6516221 0.90 KMT2A (0.73) KMT2AMEN1POLBMTNR1AMTNR1B
SCHEMBL1753885 0.88 KMT2A (0.81) KMT2AMEN1POLBLMNATDP1
SCHEMBL2615418 0.88 KMT2A (0.81) KMT2AMEN1POLBLMNATDP1
Hydrochloric Acid SCHEMBL30443411 0.86 KMT2A (0.78) KMT2AMEN1POLBLMNATDP1
SCHEMBL14384856 0.85 MTNR1A (0.64) KMT2APOLBMTNR1AMTNR1BLMNA
SCHEMBL18826484 0.85 KMT2A (0.66) KMT2AMEN1POLBMTNR1AMTNR1B
SCHEMBL14384396 0.83 MTNR1A (0.76) KMT2AMEN1POLBMTNR1AMTNR1B
SCHEMBL2844063 0.83 KMT2A (0.77) KMT2AMEN1POLBMTNR1AMTNR1B
SCHEMBL171438 0.83 HPGD (0.71) KMT2AMEN1POLBMTNR1AMTNR1B
SCHEMBL14192610 0.83 KMT2A (0.63) KMT2AMEN1POLBMTNR1AMTNR1B

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-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO disclosed