SCHEMBL7095374

SCHEMBL7095374

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TRPA1 O75762 1/20 0.40
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SRC P12931 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
POLB P06746 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
SCHEMBL7092749 0.92 LMNA (0.40) IDO1TDO2TRPA1LMNATSHR
SCHEMBL7095932 0.83 ALDH1A1 (0.46) TRPA1LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL7093358 0.82 LMNA (0.50) TRPA1LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL6744566 0.72 IDO1 (0.43) IDO1TDO2TRPA1TSHRALDH1A1
SCHEMBL7090779 0.70 ESR1 (0.48) IDO1TDO2TRPA1LMNATSHR
SCHEMBL14761774 0.70 IDO1 (0.42) IDO1TDO2TRPA1TSHRALDH1A1
SCHEMBL14761776 0.70 IDO1 (0.42) IDO1TDO2TRPA1TSHRALDH1A1
SCHEMBL7093897 0.70 IDO1 (0.46) IDO1TDO2MEN1KMT2AMTNR1A
SCHEMBL198178 0.69 TSHR (0.57) IDO1TDO2TRPA1TSHRALDH1A1
SCHEMBL957610 0.69 IDO1 (0.41) IDO1TDO2TRPA1ALDH1A1SMN1; 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