SCHEMBL11819309

SCHEMBL11819309

O=C(O)c1cc(SCc2cccc(Br)c2)cc(S(=O)(=O)N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ HTT P42858 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ BCL2A1 Q16548 1/20 0.36
▸ ESR1 P03372 1/20 0.36

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
SCHEMBL11819988 0.90 LMNA (0.46) ALDH1A1LMNAKMT2AMEN1MCL1
SCHEMBL11820801 0.87 NPC1 (0.45) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL11816193 0.82 KMT2A (0.44) KMT2AMEN1HTTMAPT
SCHEMBL11827713 0.81 KMT2A (0.43) KMT2AMEN1HTT
SCHEMBL11819833 0.79 KMT2A (0.52) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL11822961 0.77 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AMEN1MCL1
SCHEMBL11816930 0.76 TAS2R14 (0.59) KMT2AMEN1
SCHEMBL11815605 0.73 CA12 (0.46) ALDH1A1KMT2AMEN1MAPTMCL1
SCHEMBL11822223 0.71 MEN1 (0.46) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL11823334 0.70 MCL1 (0.44) ALDH1A1LMNAKMT2AMEN1MAPT

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
Send feedback