SCHEMBL10674243

SCHEMBL10674243

Fc1ccc2c(c1)C(N1CCN(C/C=C/c3cccs3)CC1)c1ccccc1CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.36
TBXA2R P21731 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
THPO P40225 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL10674246 1.00 SLC6A4 (0.45) SLC6A4SLC6A3SIGMAR1SMN1; SMN2TBXA2R
SCHEMBL9061660 0.79 LMNA (0.45) SLC6A4SLC6A3SIGMAR1SMN1; SMN2TSHR
SCHEMBL9529300 0.79 LMNA (0.45) SLC6A4SLC6A3SIGMAR1SMN1; SMN2TSHR
SCHEMBL9061654 0.79 LMNA (0.45) SLC6A4SLC6A3SIGMAR1SMN1; SMN2TSHR
SCHEMBL11161913 0.78 DRD1 (0.38) DRD2DRD3MAPK1
SCHEMBL11115905 0.77 DRD2 (0.37) DRD2DRD3MAPK1
SCHEMBL10552454 0.75 LMNA (0.46) SLC6A4SLC6A3SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL10552460 0.75 LMNA (0.46) SLC6A4SLC6A3SIGMAR1SMN1; SMN2ALDH1A1
Fumaric Acid SCHEMBL30357983 0.74 LMNA (0.46) SLC6A4SLC6A3SIGMAR1SMN1; SMN2TSHR
SCHEMBL10556593 0.73 ALDH1A1 (0.43) SLC6A4SMN1; SMN2ALDH1A1TSHRPKM

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
EP-0269755-A1 DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-08 EP disclosed