SCHEMBL8762407

SCHEMBL8762407

CC(C)C(CC(N)=O)C(O)C(F)(F)C(=O)NCCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 1/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL8761334 0.83 SMN1; SMN2 (0.40) HTTSMN1; SMN2ALDH1A1KMT2AMAPK1
SCHEMBL8762494 0.80 L3MBTL1 (0.50) L3MBTL1HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL8624798 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8627352 0.76 EPHX1 (0.34)
SCHEMBL8762402 0.76 MAPK1 (0.44) HTTALDH1A1MAPK1RAB9ALMNA
SCHEMBL3716649 0.73 L3MBTL1 (0.64) L3MBTL1HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL26310077 0.72 HTT (0.52) L3MBTL1HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL1256540 0.71 TAS1R3 (0.56) L3MBTL1HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL12156703 0.71 HRH3 (0.57) L3MBTL1HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL2755853 0.70 MAPK1 (0.60) L3MBTL1HTTSMN1; SMN2ALDH1A1MEN1

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-0636141-B1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-06-25 EP disclosed