SCHEMBL9728279

SCHEMBL9728279

CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1-n1nnn(C2CCCC2)c1=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.34
BTK Q06187 3/20 0.34
LYN P07948 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
ALDH1A1 P00352 6/20 0.33
TSHR P16473 5/20 0.33
KDR P35968 4/20 0.33
TEK Q02763 4/20 0.33
NPSR1 Q6W5P4 4/20 0.33
HTT P42858 2/20 0.33
KDM5A P29375 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 3/20 0.31
ALOX15 P16050 2/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 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
SCHEMBL9728689 0.79 BCL2 (0.33) ALDH1A1TSHRNPSR1HTTSMN1; SMN2
SCHEMBL9729385 0.78 KDM5A (0.32) KDM5A
SCHEMBL9728513 0.77 TSHR (0.36) ALDH1A1TSHRNPSR1HTTSMN1; SMN2
SCHEMBL9728650 0.69 BCL2 (0.36) ALDH1A1TSHRNPSR1SMN1; SMN2LMNA
SCHEMBL9729023 0.68 BCL2 (0.36) LMNA
SCHEMBL9637989 0.63 MAPT (0.34) HRH3ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL9637947 0.63 NPY5R (0.35) BTKHTTNPC1RAB9AMEN1
SCHEMBL5076801 0.61 BCL2 (0.57) ALDH1A1TSHRHTTHPGDLMNA
SCHEMBL4360185 0.61 MEN1 (0.47) ALDH1A1TSHRHTTNPC1RAB9A
SCHEMBL9368279 0.61 BCL2 (0.41) ALDH1A1TSHRHTTNPC1RAB9A

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