SCHEMBL22357366

SCHEMBL22357366

NC(C=O)C(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
TAAR1 Q96RJ0 1/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 2/20 0.49
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
CDK9 P50750 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
HSP90AA1 P07900 2/20 0.47

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
SCHEMBL10942647 0.79 POLB (0.67) POLBTAAR1MAPTALDH1A1MEN1
SCHEMBL22357458 0.79 POLB (0.61) POLBTAAR1MAPTALDH1A1MEN1
SCHEMBL10368145 0.78 POLB (0.59) POLBTAAR1MAPTALDH1A1MEN1
SCHEMBL8786423 0.76 POLB (0.57) POLBTAAR1MAPTALDH1A1MEN1
SCHEMBL1802214 0.76 TAAR1 (0.79) POLBTAAR1MAPTALDH1A1MEN1
SCHEMBL5960486 0.76 TAAR1 (0.79) POLBTAAR1MAPTALDH1A1MEN1
SCHEMBL4741417 0.76 TAAR1 (0.79) POLBTAAR1MAPTALDH1A1MEN1
SCHEMBL28401398 0.76 POLB (0.56) POLBTAAR1MAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL8008025 0.74 TAAR1 (0.77) POLBTAAR1MAPTALDH1A1MEN1
SCHEMBL4982071 0.74 POLB (0.66) POLBTAAR1MAPTALDH1A1MEN1

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
EP-2488028-B1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2020-08-19 EP disclosed