SCHEMBL21736893

SCHEMBL21736893

C=CCCc1cccc(C#N)c1CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.32
CYP2C9 P11712 3/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
DRD2 P14416 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16962350 0.82 LMNA (0.34) S1PR1CYP2C9TSHRLMNATP53
SCHEMBL12802308 0.80 GABRA1 (0.39) TSHR
SCHEMBL16115312 0.80 CYP19A1 (0.40) TSHRLMNAMAPTALDH1A1
SCHEMBL7790350 0.79 GABRA1 (0.41) TSHRLMNATP53MAPTALDH1A1
SCHEMBL16960147 0.79 S1PR1 (0.37) S1PR1CYP2C9TSHR
SCHEMBL16960684 0.79 S1PR1 (0.38) S1PR1CYP2C9TSHR
SCHEMBL16953662 0.78 TSHR (0.36) CYP2C9TSHRLMNATP53MAPT
SCHEMBL8763180 0.78 GABRA1 (0.40) CYP2C9TSHRLMNATP53MAPT
SCHEMBL21728161 0.77 DRD2 (0.32) TSHRDRD2
SCHEMBL16957400 0.76 S1PR1 (0.42) S1PR1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed