SCHEMBL7676005

SCHEMBL7676005

O=C(O)CC(NC(=O)SCCc1ccccc1)C(=O)Cn1nnc(Sc2ccc(CN3CCCC3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
DAGLA Q9Y4D2 1/20 0.36
BCHE P06276 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AVPR1B P47901 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
MMP2 P08253 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
Hydrochloric Acid SCHEMBL7693047 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL7677914 0.89 USP2 (0.37) MEN1KMT2AUSP2SMN1; SMN2HDAC3
SCHEMBL8171631 0.84 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATSHRLMNA
Hydrochloric Acid SCHEMBL7694441 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL7675970 0.82 CASP1 (0.36) MEN1KMT2AHTTUSP2HDAC3
SCHEMBL7678054 0.82 USP2 (0.35) MEN1KMT2AUSP2HDAC3HDAC1
SCHEMBL7678033 0.81 CASP1 (0.36) USP2HDAC3HDAC1HDAC2HDAC6
SCHEMBL7684625 0.79 CASP1 (0.34) MEN1KMT2AUSP2HDAC3HDAC1
SCHEMBL7680236 0.77 TP53 (0.33) MEN1KMT2AUSP2HDAC3HDAC1
SCHEMBL7680229 0.77 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2ATSHRMAPT

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
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed