SCHEMBL11669441

SCHEMBL11669441

CC(Oc1ccccc1)C(N)=S

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL10875396 0.83 GAA (0.50) POLBGAACYP1A2CYP2C9PKM
SCHEMBL1328578 0.79 GAA (0.56) POLBGAACYP1A2CYP2C9PKM
Methylamine SCHEMBL27849104 0.75 CYP1A2 (0.72) POLBGAACYP1A2CYP2C9PKM
SCHEMBL14464724 0.75 GAA (0.56) POLBGAACYP1A2CYP2C9PKM
SCHEMBL20379559 0.75 GAA (0.51) POLBGAACYP1A2CYP2C9PKM
SCHEMBL6804593 0.75 ALDH1A1 (0.41) POLBGAAHPGDMEN1KMT2A
SCHEMBL43054 0.74 CYP1A2 (0.78) POLBGAACYP1A2CYP2C9PKM
SCHEMBL14608408 0.74 GAA (0.50) POLBGAACYP1A2CYP2C9PKM
SCHEMBL473828 0.74 CYP1A2 (0.78) POLBGAACYP1A2CYP2C9PKM
SCHEMBL127395 0.74 CYP1A2 (0.78) POLBGAACYP1A2CYP2C9PKM

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-52128220-A None JP disclosed
JP-S52128220-A HERBICIDES ISHIHARA SANGYO KAISHA LTD 1977-10-27 JP disclosed