SCHEMBL31440665

SCHEMBL31440665

COC(=O)c1ccc(C(F)(F)F)c2c1SCS2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.43
NOTUM Q6P988 3/20 0.43
CES2 O00748 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
RBP4 P02753 1/20 0.36
ESRRA P11474 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34

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
SCHEMBL22462321 1.00 CFTR (0.43) CFTRNOTUMCES2CA12CA1
SCHEMBL31440667 0.81 DAO (0.41) NOTUMCES2KDM4EHPGDALDH1A1
SCHEMBL22462329 0.81 DAO (0.41) NOTUMCES2KDM4EHPGDALDH1A1
SCHEMBL22831692 0.72 CFTR (0.49) CFTRNOTUMCES2CA12CA1
SCHEMBL2085863 0.71 CFTR (0.55) CFTRNOTUMCES2CA12CA1
SCHEMBL8493814 0.71 CFTR (0.47) CFTRNOTUMCES2CA12CA1
SCHEMBL1235475 0.70 CFTR (0.46) CFTRNOTUMCES2CA12CA1
SCHEMBL19669443 0.70 CFTR (0.46) CFTRNOTUMCES2CA12CA1
SCHEMBL27706769 0.70 BRD4 (0.47) CFTRNOTUMLMNAKDM4ETSHR
SCHEMBL15920408 0.69 CFTR (0.57) CFTRNOTUMCES2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111356368-B Herbicidally active bicyclic benzamides 拜耳公司 2025-02-25 CN disclosed