SCHEMBL11244858

SCHEMBL11244858

CC(Br)C(Cl)(Cl)Oc1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
MAOA P21397 1/20 0.39
HTR2B P41595 1/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IMPDH2 P12268 1/20 0.33

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
SCHEMBL11568266 0.77 GAA (0.46) POLBGAASMN1; SMN2MAPK1HTR1A
SCHEMBL2154632 0.77 GAA (0.50) POLBGAASMN1; SMN2MAPK1HTR1A
SCHEMBL28866136 0.75 GAA (0.49) POLBGAASMN1; SMN2MAPK1HTR1A
SCHEMBL28000167 0.74 GAA (0.43) POLBGAASMN1; SMN2MAPK1HTR1A
SCHEMBL27990730 0.71 GAA (0.45) POLBGAASMN1; SMN2MAPK1HTR1A
SCHEMBL26158076 0.71 POLB (0.45) POLBGAASMN1; SMN2MAPK1HTR1A
SCHEMBL11244862 0.71 GAA (0.38) POLBGAASMN1; SMN2MAPK1HTR1A
SCHEMBL11244991 0.71 SMN1; SMN2 (0.41) POLBGAASMN1; SMN2MAPK1HTR1A
SCHEMBL19614557 0.70 POLB (0.44) POLBGAASMN1; SMN2MAPK1HTR1A
SCHEMBL19614561 0.70 POLB (0.44) POLBGAASMN1; SMN2MAPK1HTR1A

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-4348401-A ANTIHISTAMINIC, ANTIEDEMIC, ANTIPHLOGISTIC BOEHRINGER MANNHEIM GMBH (DE) 1982-09-07 US disclosed