SCHEMBL9198060

SCHEMBL9198060

Cc1cccc(C)c1OC(CN)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 12/20 0.53
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
NFKB1 P19838 2/20 0.49
THPO P40225 1/20 0.49
LMNA P02545 2/20 0.47
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
TSHR P16473 2/20 0.47
MAOA P21397 2/20 0.47
SCN8A Q9UQD0 2/20 0.47
CYP2C9 P11712 1/20 0.47
KCNK3 O14649 1/20 0.47
CACNA1F O60840 1/20 0.47
KCNK2 O95069 1/20 0.47
GBA1 P04062 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL5591554 0.80 SCN4A (0.56) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL28060152 0.74 SCN4A (0.53) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL9201474 0.73 SCN4A (0.55) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL9880974 0.72 TAAR1 (0.45) LMNAMAOAHTR2ASLC6A4TAAR1
SCHEMBL104735 0.72 SCN4A (0.48) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL11580891 0.69 SCN4A (0.45) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL6274601 0.69 SCN4A (0.52) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL8815332 0.69 SCN4A (1.00) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL19668739 0.69 SCN4A (0.50) SCN4ACYP1A2CYP3A4CYP2D6THPO
SCHEMBL19668654 0.69 SCN4A (0.45) SCN4ACYP1A2CYP3A4CYP2D6NFKB1

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-0403703-B1 Maleimide derivative, process for the preparation thereof, and agricultural and horticultural fungicide containing said maleimide derivative as active ingredient SUNTORY LTD (JP) 1995-09-06 EP disclosed
EP-0403703-A1 Maleimide derivative, process for the preparation thereof, and agricultural and horticultural fungicide containing said maleimide derivative as active ingredient SUNTORY LIMITED (JP) 1990-12-27 EP disclosed
US-4945104-A Maleimide derivatives and use thereof in agricultural and horticultural fungicides SUNTORY LIMITED (JP) 1990-07-31 US disclosed