SCHEMBL11328107

SCHEMBL11328107

C=CCc1ccc2cc(C#N)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 1/20 0.43
XDH P47989 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH2 P05091 1/20 0.42
GAA P10253 1/20 0.42
GABRA1 P14867 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GABRB2 P47870 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8927518 0.87 HRH3 (0.57) HRH3
SCHEMBL3259762 0.82 XDH (0.58) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL991288 0.81 LOXL2 (0.52) KCNH2XDHALDH1A1PPARGPPARD
Bromide SCHEMBL28224574 0.79 LOXL2 (0.50) KCNH2XDHALDH1A1PPARGPPARD
SCHEMBL198193 0.78 XDH (0.54) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL253471 0.78 XDH (0.54) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL11494827 0.78 XDH (0.54) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL7055734 0.78 XDH (0.54) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL7043823 0.78 XDH (0.54) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL2162055 0.78 GLA (0.46) XDHALDH1A1PPARGPPARDMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56129288-A None JP disclosed
JP-S56129288-A LOW-VISCOSITY NEMATIC LIQUID CRYSTAL COMPOSITION HITACHI LTD 1981-10-09 JP disclosed