SCHEMBL4736696

SCHEMBL4736696

BrCCOc1ccc2ccccc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
RXFP1 Q9HBX9 3/20 0.49
PRNP P04156 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 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
SCHEMBL12370653 0.91 MAPT (0.50) MAPTMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL12370651 0.88 MAPT (0.48) MAPTMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL7362843 0.84 HTR1B (0.64) MAPTMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL7362839 0.84 MAPT (0.50) MAPTMAPK1RAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL7360142 0.83 HTR1B (0.62) MAPTMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL14393504 0.83 GAA (0.61) MAPTMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL23515218 0.81 HTR1B (0.57) MAPTMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL29625729 0.81 HTR1B (0.57) MAPTMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL7362748 0.80 RAB9A (0.51) MAPTMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL2204553 0.79 HTR1B (0.67) MAPTRAB9AHPGDALDH1A1POLB

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
WO-2008069518-A1 PHARMACEUTICAL COMPOSITION FOR CONTROLLING THE FUNCTION OF SPIHNGOSYLPHOSPHORYLCHOLINE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO disclosed