SCHEMBL9728430

SCHEMBL9728430

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALOX15 P16050 1/20 0.33
ANPEP P15144 2/20 0.32
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9729305 0.90 TSHR (0.37) DPP4ALDH1A1TSHRNR1H2NR1H3
SCHEMBL9728711 0.86 TSHR (0.46) DPP4ALDH1A1TSHRNR1H2NR1H3
SCHEMBL9728241 0.81 DPP4 (0.37) DPP4ALDH1A1TSHRNR1H2NR1H3
SCHEMBL9728643 0.80 DPP4 (0.39) DPP4ALDH1A1TSHRNR1H2NR1H3
SCHEMBL9728613 0.71 GABRA1 (0.37) ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL9729088 0.69 CRHBP (0.34) DPP4ALDH1A1ANPEPKMT2ACYP1A2
SCHEMBL9728918 0.66 ALDH1A1 (0.46) DPP4ALDH1A1TSHRNR1H2NR1H3
SCHEMBL9728180 0.66 DPP4 (0.42) DPP4ALDH1A1TSHRNR1H2NR1H3
SCHEMBL9728307 0.64 TSHR (0.50) DPP4ALDH1A1TSHRNR1H2NR1H3
SCHEMBL23845156 0.63 GABRA1 (0.45) TSHRKMT2ACYP1A2CYP3A4HPGD

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