SCHEMBL7984205

SCHEMBL7984205

CC(C)(C)Cc1cnc2ccc(Br)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.37
HTT P42858 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PABPC1 P11940 1/20 0.34
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 2/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
GBA1 P04062 1/20 0.31
PTGES O14684 2/20 0.31
PPARA Q07869 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
SCHEMBL7994379 0.94 PABPC1 (0.38) PDE10AHTTCYP1A2CYP2C19ALDH1A1
SCHEMBL17179171 0.81 HTT (0.41) PDE10AHTTCYP1A2CYP2C19ALDH1A1
SCHEMBL30134360 0.80 PDE10A (0.41) PDE10AHTTCYP1A2CYP2C19ALDH1A1
SCHEMBL23093834 0.78 PDE10A (0.40) PDE10AHTTCYP1A2CYP2C19ALDH1A1
SCHEMBL30192121 0.78 PABPC1 (0.41) PDE10AHTTCYP1A2CYP2C19ALDH1A1
SCHEMBL9968617 0.78 PDE10A (0.62) PDE10ACYP1A2ALDH1A1MEN1MAPT
SCHEMBL23093846 0.75 PDE10A (0.46) PDE10AHTTCYP1A2CYP2C19PABPC1
SCHEMBL26919701 0.75 HTT (0.44) HTTCYP1A2CYP2C19ALDH1A1PABPC1
SCHEMBL13226945 0.75 PABPC1 (0.41) PDE10AHTTCYP1A2CYP2C19ALDH1A1
SCHEMBL28524079 0.73 AURKA (0.41) PDE10AHTTALDH1A1MEN1MAPT

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
WO-2001055140-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed