SCHEMBL9728513

SCHEMBL9728513

CCn1nnn(-c2c(C(C)C)cc(Oc3ccccc3)cc2C(C)C)c1=S

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LTA4H P09960 2/20 0.35
MGLL Q99685 2/20 0.33
BCL2 P10415 2/20 0.32
MCL1 Q07820 2/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
MDM2 Q00987 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9728689 0.82 BCL2 (0.33) TSHRLTA4HMGLLBCL2MCL1
SCHEMBL9728650 0.72 BCL2 (0.36) TSHRMGLLBCL2MCL1ALDH1A1
SCHEMBL9729023 0.71 BCL2 (0.36) MGLLBCL2MCL1LMNAMDM2
SCHEMBL9729385 0.71 KDM5A (0.32)
SCHEMBL9729305 0.66 TSHR (0.37) TSHRALDH1A1LMNAHPGD
SCHEMBL5076801 0.64 BCL2 (0.57) TSHRLTA4HBCL2MCL1ALDH1A1
SCHEMBL4360185 0.64 MEN1 (0.47) TSHRLTA4HBCL2MCL1ALDH1A1
SCHEMBL9368279 0.64 BCL2 (0.41) TSHRLTA4HBCL2MCL1ALDH1A1
Hydrochloric Acid SCHEMBL9364864 0.63 MEN1 (0.50) TSHRLTA4HBCL2MCL1ALDH1A1
Water SCHEMBL28207329 0.63 MEN1 (0.46) TSHRLTA4HBCL2MCL1ALDH1A1

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