SCHEMBL14349252

SCHEMBL14349252

CCN(CC)C(=O)c1ccccc1Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
ALOX15 P16050 1/20 0.57
FABP4 P15090 1/20 0.56
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCC1 P33527 1/20 0.50
SIRT2 Q8IXJ6 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KCNA5 P22460 1/20 0.47
MT-CO2 P00403 2/20 0.47
KEAP1 Q14145 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
CLCN2 P51788 1/20 0.45

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
SCHEMBL10987263 0.89 MAPT (0.51) MAPTALOX15FABP4ADRA1DADRA1A
SCHEMBL10839355 0.88 ADRA1A (0.52) MAPTALOX15FABP4ADRA1DADRA1A
SCHEMBL10988251 0.86 MEN1 (0.53) MAPTALOX15MEN1KMT2ATSHR
SCHEMBL10992166 0.82 TP53 (0.53) MAPTALOX15FABP4ADRA1DADRA1A
SCHEMBL27752030 0.81 ADRA1A (0.57) MAPTADRA1DADRA1AADRA1BABCC1
SCHEMBL10837593 0.81 ADRA1A (0.56) MAPTALOX15ADRA1DADRA1AADRA1B
SCHEMBL28454648 0.80 ADRA1A (0.59) MAPTFABP4ADRA1DADRA1AADRA1B
Fenamic Acid SCHEMBL28097929 0.80 FABP4 (0.79) MAPTALOX15FABP4MEN1KMT2A
SCHEMBL10992103 0.79 MEN1 (0.49) MAPTALOX15ADRA1AMEN1KMT2A
SCHEMBL29822323 0.78 TP53 (0.69) MAPTADRA1DADRA1AADRA1BABCC1

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-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed