SCHEMBL8993507

SCHEMBL8993507

Cn1c(C(F)(F)F)cc(=S)n(-c2ccc(Cl)c(C(=O)OCC3CC3)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
CRHR1 P34998 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR4 Q13639 2/20 0.36
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CRHR2 Q13324 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL8993584 0.90 MEN1 (0.37) GABRA1GABRG2GABRB3GABRA5CRHR1
SCHEMBL8993529 0.82 TDP1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL6699195 0.78 CYP4F2 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL6908332 0.77 ALDH1A1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL9520570 0.76 GAA (0.37) GABRA1GABRG2GABRB3GABRA5HTR4
SCHEMBL6697536 0.74 MEN1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL7953670 0.74 KMT2A (0.37) CRHR1MEN1KMT2AALDH1A1RORC
SCHEMBL9567016 0.73 CTSB (0.36) CRHR1MEN1KMT2A
SCHEMBL4897613 0.72 ALDH1A1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL44446 0.72 ALDH1A1 (0.38) MEN1KMT2AALDH1A1

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
US-5527764-A 3-arylthionouracils useful as herbicides, defoliants, and desiccants UNIROYAL CHEMICAL COMPANY, INC. (US) 1996-06-18 US disclosed