SCHEMBL9728643

SCHEMBL9728643

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ANPEP P15144 2/20 0.35
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 2/20 0.30
CYP1A2 P05177 2/20 0.30
GLA P06280 2/20 0.30
CYP3A4 P08684 2/20 0.30
GAA P10253 2/20 0.30
CYP2C9 P11712 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TP53 P04637 1/20 0.30
CYP2D6 P10635 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
SCHEMBL9729088 0.90 CRHBP (0.34) DPP4ANPEPALDH1A1CRHBPCRHR2
SCHEMBL9728180 0.87 DPP4 (0.42) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9728307 0.82 TSHR (0.50) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9728430 0.80 DPP4 (0.33) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9728918 0.75 ALDH1A1 (0.46) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9728387 0.73 DPP4 (0.36) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9728689 0.68 BCL2 (0.33) ALDH1A1TSHRKMT2AHPGD
SCHEMBL9729305 0.67 TSHR (0.37) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL8526207 0.66 DPP4 (0.38) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL9729032 0.66 GABRA1 (0.36) ALDH1A1TSHRALOX15

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
JP-3031270-A None JP disclosed
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
JP-H0331270-A THIOXOTETRAZOLINE AND PESTICIDE CIBA GEIGY AG 1991-02-12 JP disclosed