SCHEMBL3346398

SCHEMBL3346398

O=S(=O)(O[I+]c1cccs1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.31
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
RORB Q92753 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
SCHEMBL3347504 0.76 TDP1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL3349136 0.72 CA2 (0.36) KMT2AALDH1A1
SCHEMBL1894771 0.69 KMT2A (0.36) MEN1KMT2AALDH1A1RORARORC
SCHEMBL11779931 0.69 CES2 (0.34) MEN1KMT2AALDH1A1
SCHEMBL2480964 0.69 RAB9A (0.41) MEN1KMT2AALDH1A1
SCHEMBL3686067 0.68 CA1 (0.42) KMT2AALDH1A1
SCHEMBL3347813 0.64 CA2 (0.39) ALDH1A1
SCHEMBL18135035 0.63 ERN1 (0.38) KMT2AALDH1A1
SCHEMBL3347595 0.63 MMP2 (0.35) KMT2AALDH1A1
SCHEMBL2902966 0.62 LMNA (0.33) 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
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed