SCHEMBL9237331

SCHEMBL9237331

CCCN(CCC)C(=O)C(Br)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 5/20 0.46
NPSR1 Q6W5P4 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
GLI1 P08151 1/20 0.43
GLI2 P10070 1/20 0.43
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
P2RX1 P51575 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
SCHEMBL353571 0.86 SMN1; SMN2 (0.57) CES2CES1L3MBTL1LMNASMN1; SMN2
SCHEMBL4984176 0.79 TP53 (0.49) TP53L3MBTL1LMNANPSR1SMN1; SMN2
SCHEMBL1974219 0.78 TP53 (0.47) TP53L3MBTL1LMNANPSR1SMN1; SMN2
SCHEMBL8954088 0.76 CES2 (0.59) CES2CES1LMNAKMT2AALDH1A1
SCHEMBL9231096 0.75 NPC1 (0.56) CES2CES1TP53SMN1; SMN2MAPT
SCHEMBL9237328 0.75 CES2 (0.48) CES2CES1LMNASMN1; SMN2MAPT
SCHEMBL8701460 0.75 ALDH1A1 (0.58) CES2CES1TP53SMN1; SMN2KMT2A
SCHEMBL14228916 0.74 GAA (0.44) TP53L3MBTL1LMNANPSR1SMN1; SMN2
SCHEMBL13114813 0.74 LMNA (0.45) TP53L3MBTL1LMNANPSR1SMN1; SMN2
Alcohol SCHEMBL29064519 0.74 CES2 (0.61) CES2CES1LMNAKMT2AMEN1

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-0657452-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1995-06-14 EP disclosed