SCHEMBL9728241

SCHEMBL9728241

CCc1cccc(C(C)C)c1-n1nnn(C)c1=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ANPEP P15144 5/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 3/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 2/20 0.31
GLA P06280 2/20 0.31
CYP3A4 P08684 2/20 0.31
GAA P10253 2/20 0.31
CYP2C9 P11712 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 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
SCHEMBL9728643 0.85 DPP4 (0.39) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9728430 0.81 DPP4 (0.33) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9729088 0.74 CRHBP (0.34) DPP4ANPEPALDH1A1KMT2ACYP1A2
SCHEMBL9728180 0.70 DPP4 (0.42) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9729305 0.68 TSHR (0.37) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL8475825 0.68 POLB (0.47) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9728918 0.68 ALDH1A1 (0.46) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL8526207 0.67 DPP4 (0.38) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL16385896 0.66 HTR1A (0.39) DPP4NR1H2NR1H3ALDH1A1KMT2A
SCHEMBL9728387 0.66 DPP4 (0.36) DPP4NR1H2NR1H3ANPEPALDH1A1

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
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