SCHEMBL9728307

SCHEMBL9728307

Cc1cccc(C(C)C)c1-n1nnn(C(C)C)c1=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
DPP4 P27487 3/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ANPEP P15144 2/20 0.37
C5AR1 P21730 2/20 0.31
LMNA P02545 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 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
SCHEMBL9728180 0.91 DPP4 (0.42) TSHRALDH1A1ALOX15DPP4NR1H2
SCHEMBL9728918 0.86 ALDH1A1 (0.46) TSHRALDH1A1ALOX15DPP4NR1H2
SCHEMBL9728643 0.82 DPP4 (0.39) TSHRALDH1A1ALOX15DPP4NR1H2
SCHEMBL9728013 0.79 DPP4 (0.34) TSHRALDH1A1ALOX15DPP4NR1H2
SCHEMBL9728711 0.78 TSHR (0.46) TSHRALDH1A1ALOX15DPP4NR1H2
SCHEMBL9728387 0.73 DPP4 (0.36) TSHRALDH1A1ALOX15DPP4NR1H2
SCHEMBL9729088 0.73 CRHBP (0.34) ALDH1A1DPP4ANPEPCYP1A2GABRA1
SCHEMBL9728553 0.72 DPP4 (0.42) TSHRALDH1A1ALOX15DPP4NR1H2
SCHEMBL9729305 0.70 TSHR (0.37) TSHRALDH1A1ALOX15DPP4NR1H2
SCHEMBL14883248 0.66 TSHR (0.48) TSHRALDH1A1ALOX15DPP4NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406163-A1 Thioxotetrazolines CIBA-GEIGY AG (CH) 1991-01-02 EP claimed
US-5138068-A Pesticide CIBA-GEIGY CORPORATION (US) 1992-08-11 US disclosed
US-5066667-A Controlling insects and arachnids CIBA-GEIGY CORPORATION (US) 1991-11-19 US disclosed
EP-0406163-A1 Thioxotetrazolines CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed