SCHEMBL7092749

SCHEMBL7092749

N#CC(c1ccccc1)N(c1ccccc1)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
TRPA1 O75762 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SRC P12931 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL7095374 0.92 IDO1 (0.42) LMNATRPA1IDO1TDO2ALDH1A1
SCHEMBL7095932 0.85 ALDH1A1 (0.46) LMNATRPA1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7093358 0.84 LMNA (0.50) LMNATRPA1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7090779 0.73 ESR1 (0.48) LMNATRPA1IDO1TDO2ALDH1A1
SCHEMBL7092760 0.71 HTR2A (0.43) IDO1TDO2ALDH1A1MTNR1AMTNR1B
SCHEMBL7092758 0.69 TRPM8 (0.41) IDO1TDO2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL6744566 0.67 IDO1 (0.43) TRPA1IDO1TDO2ALDH1A1TSHR
SCHEMBL27449699 0.67 SRC (0.42) IDO1TDO2ALDH1A1MTNR1AMTNR1B
SCHEMBL9321120 0.67 ALDH1A1 (0.46) LMNAIDO1TDO2ALDH1A1SMN1; SMN2
SCHEMBL29634606 0.67 ALDH1A1 (0.46) LMNAIDO1TDO2ALDH1A1SMN1; SMN2

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-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed