SCHEMBL27486183

SCHEMBL27486183

Brc1ccc[c]c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 2/20 0.34
CTRC Q99895 1/20 0.33
GRM2 Q14416 1/20 0.33
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL8466360 0.78 CALM1 (0.55) CALM1ALDH1A1TRPA1TSHRHPGD
SCHEMBL7465411 0.78 CALM1 (0.44) CALM1ALDH1A1TSHRHPGDCTRC
SCHEMBL721135 0.78 CALM1 (0.44) CALM1HPGDBCL2BCL2L1SMN1; SMN2
SCHEMBL7453243 0.76 CALM1 (0.42) CALM1ALDH1A1TSHRHPGDBCL2
SCHEMBL7459473 0.76 CALM1 (0.42) CALM1ALDH1A1BCL2BCL2L1TDP1
SCHEMBL28815316 0.76 CALM1 (0.42) CALM1ALDH1A1SMN1; SMN2
SCHEMBL1551925 0.76 BCL2 (0.45) CALM1HPGDBCL2BCL2L1MEN1
SCHEMBL28069044 0.74
SCHEMBL7428047 0.73 HTR1A (0.41) CALM1ALDH1A1HPGD
SCHEMBL455069 0.72

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
CN-1202109-A Kainic acid neuronotoxicity inhibitors and pyridothioazine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 CN disclosed