SCHEMBL28082276

SCHEMBL28082276

CON(c1cccc(Br)c1F)S(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
APLNR P35414 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
ACLY P53396 1/20 0.33
PTPN1 P18031 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 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
SCHEMBL574448 0.82 KDM4E (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL574453 0.67 PTGES2 (0.54) KMT2APTGES2ACLYSMN1; SMN2
SCHEMBL12482335 0.66 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12482621 0.65 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16467751 0.65 PKM (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22145974 0.64 KMT2A (0.39) KMT2ATDP1PKM
SCHEMBL124345 0.64 ALDH1A1 (0.33) KDM4EKMT2ATDP1
SCHEMBL29867689 0.64 KMT2A (0.31) KMT2ATDP1
SCHEMBL15198327 0.62 C5AR1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30993876 0.61 ACLY (0.45) KMT2AACLYMEN1MAPTLMNA

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-103403002-B Thiazolylphenyl-benzderivativesido derivativesido as inhibitors of kinases 内尔维阿诺医学科学有限公司 2016-06-22 CN disclosed