SCHEMBL8734085

SCHEMBL8734085

O=[C]CCCNC(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.33
CASP2 P42575 1/20 0.32
AANAT Q16613 1/20 0.32
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL2678727 0.92 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3730615 0.86
SCHEMBL16853220 0.81 ALDH1A1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853223 0.81 ALDH1A1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18342497 0.80 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1CASP2
SCHEMBL23475919 0.79 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853230 0.79 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853228 0.79 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853226 0.79 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853231 0.79 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726770-A4 SULFAMETHOXAZOLE-SPECIFIC IMMUNOSUPPRESSIVE AGENTS CORTECH INC (US) 1998-02-04 EP disclosed
US-5599912-A DEXTRAN DERIVATIVES WHICH ALSO CONTAIN SULFAMETHOXAZOLE GROUPS, FOR TREATING UNDESIRED IMMUNE RESPONSES TO DRUGS WHICH ALSO CONTAIN THOSE GROUPS CORETECH, INC. (US) 1997-02-04 US disclosed
EP-0726770-A1 SULFAMETHOXAZOLE-SPECIFIC IMMUNOSUPPRESSIVE AGENTS CORTECH, INC. (US) 1996-08-21 EP disclosed
WO-1995007087-A1 SULFAMETHOXAZOLE-SPECIFIC IMMUNOSUPPRESSIVE AGENTS CORTECH, INC. (US) 1995-03-16 WO disclosed