SCHEMBL9729088

SCHEMBL9729088

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
NPEPPS P55786 2/20 0.33
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
POLB P06746 1/20 0.31
ANPEP P15144 2/20 0.31
DPP4 P27487 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 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
SCHEMBL9728643 0.90 DPP4 (0.39) CRHBPCRHR2ALDH1A1KMT2AANPEP
SCHEMBL9728180 0.78 DPP4 (0.42) ALDH1A1GABRA1GABRB2ANPEPDPP4
SCHEMBL9728307 0.73 TSHR (0.50) ALDH1A1GABRA1GABRB2ANPEPDPP4
SCHEMBL9728430 0.69 DPP4 (0.33) ALDH1A1KMT2AANPEPDPP4CYP1A2
SCHEMBL9728387 0.64 DPP4 (0.36) ALDH1A1ANPEPDPP4
SCHEMBL1610810 0.62 KCNN4 (0.40) CRHBPCRHR2ALDH1A1KMT2ANPEPPS
SCHEMBL19910588 0.61 EZH2 (0.42) GABRA1GABRB2POLB
SCHEMBL22825324 0.61 GABRA1 (0.38) CRHBPCRHR2NPEPPSGABRA1GABRB2
SCHEMBL14551981 0.59 IDO1 (0.42) ANPEPDPP4SMN1; SMN2
SCHEMBL14481413 0.59 NPEPPS (0.35) CRHBPCRHR2ALDH1A1NPEPPSGABRA1

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