SCHEMBL7687093

SCHEMBL7687093

CC(=O)NCCSC(=O)NC(CC(=O)O)C(=O)Cn1nnnc1Sc1c(Cl)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.34
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 2/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
GHSR Q92847 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
USP2 O75604 1/20 0.30
GLA P06280 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
SCHEMBL7675858 0.90 ALDH1A1 (0.36) ALDH1A1LMNAHPGDL3MBTL1KMT2A
SCHEMBL7687004 0.89 ALDH1A1 (0.36) ALDH1A1LMNAHPGDL3MBTL1KMT2A
SCHEMBL7675762 0.88 CASP1 (0.37) ALDH1A1LMNAHPGDKMT2AGHSR
SCHEMBL7679820 0.88 ALDH1A1 (0.35) ALDH1A1LMNAHPGDL3MBTL1KMT2A
SCHEMBL7677059 0.87 ALDH1A1 (0.38) ALDH1A1LMNAHPGDL3MBTL1KMT2A
SCHEMBL7684617 0.86 ALDH1A1 (0.34) ALDH1A1LMNAHPGDL3MBTL1KMT2A
SCHEMBL7683953 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL7684434 0.85 ALDH1A1 (0.37) ALDH1A1LMNAHPGDL3MBTL1KMT2A
SCHEMBL7679379 0.84 ALDH1A1 (0.38) ALDH1A1LMNAHPGDL3MBTL1KMT2A
SCHEMBL7675885 0.84 ALDH1A1 (0.34) ALDH1A1LMNAHPGDIDO1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 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-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
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