SCHEMBL5141900

SCHEMBL5141900

C=CCNC(=S)NNC(=S)NC.NC(=S)NNC(N)=S

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.42
GAA P10253 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALPL P05186 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5185769 0.91 ALDH1A1 (0.64) ALDH1A1TSHRCA1CA9POLB
SCHEMBL394950 0.91 POLB (0.49) ALDH1A1TSHRCA1CA9POLB
SCHEMBL1733093 0.80
SCHEMBL10798283 0.78
SCHEMBL11362496 0.77 ALDH1A1 (0.56) ALDH1A1TSHRCA1CA9POLB
Methallibure SCHEMBL6614118 0.77 ATM (0.45) ALDH1A1CA1CA9POLBATM
SCHEMBL12725358 0.77
SCHEMBL7976644 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA9POLB
Allylthiourea SCHEMBL29372 0.71
SCHEMBL325076 0.71 ALDH1A1 (0.62) ALDH1A1TSHRPOLBGAASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947947-A1 SYNERGISTIC INSECTICIDAL MIXTURES FOR SEED TREATMENT Bayer CropScience AG (DE) 2008-07-30 EP disclosed
WO-2007054214-A1 SYNERGISTIC INSECTICIDAL MIXTURES FOR SEED TREATMENT BAYER CROPSCIENCE AG (DE) 2007-05-18 WO disclosed
EP-1173428-A1 O-ARYL DITHIAZOLE DIOXIDES Bayer Aktiengesellschaft (DE) 2002-01-23 EP disclosed
WO-2000064881-A1 O-ARYL DITHIAZOLE DIOXIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-02 WO disclosed
EP-1017674-A1 UTILIZING SPIROCYCLIC PHENYL KETO-ENOLS AS PESTICIDES AND HERBICIDES Bayer Aktiengesellschaft (DE) 2000-07-12 EP disclosed
WO-1999016748-A1 UTILIZING SPIROCYCLIC PHENYL KETO-ENOLS AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-04-08 WO disclosed