SCHEMBL9567682

SCHEMBL9567682

CCCCC(=O)/C(=C/c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
S1PR4 O95977 1/20 0.51
MAPT P10636 1/20 0.51
S1PR1 P21453 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
GPR183 P32249 2/20 0.44
ATM Q13315 2/20 0.44
XBP1 P17861 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL9567685 1.00 LMNA (0.51) LMNANPSR1MEN1S1PR4MAPT
SCHEMBL9254151 0.84 MAPT (0.55) LMNANPSR1MEN1S1PR4MAPT
SCHEMBL9254147 0.84 MAPT (0.55) LMNANPSR1MEN1S1PR4MAPT
SCHEMBL5597287 0.78 TP53 (0.61) LMNANPSR1MEN1S1PR4MAPT
SCHEMBL11319464 0.78 LMNA (0.49) LMNANPSR1MEN1S1PR4MAPT
SCHEMBL11319459 0.78 LMNA (0.49) LMNANPSR1MEN1S1PR4MAPT
SCHEMBL7273129 0.76 MEN1 (0.54) LMNAMEN1MAPTKMT2AAKR1C3
SCHEMBL2812585 0.74 MAPT (0.85) LMNANPSR1MEN1S1PR4MAPT
SCHEMBL5613678 0.74 LMNA (0.51) LMNANPSR1MEN1S1PR4MAPT
SCHEMBL4218085 0.74 LMNA (0.51) LMNANPSR1MEN1S1PR4MAPT

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-0561664-A1 Process for the preparation of 4-pyrimidines SYNTHELABO (FR) 1993-09-22 EP disclosed