SCHEMBL7679820

SCHEMBL7679820

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CTSA P10619 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
MEN1 O00255 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
SCHEMBL7675858 0.95 ALDH1A1 (0.36) ALDH1A1LMNAHPGDNPSR1POLB
SCHEMBL7687004 0.89 ALDH1A1 (0.36) ALDH1A1LMNAHPGDCYP2C19L3MBTL1
SCHEMBL7677059 0.89 ALDH1A1 (0.38) ALDH1A1LMNAHPGDCYP1A2CYP3A4
SCHEMBL7687093 0.88 ALDH1A1 (0.36) ALDH1A1LMNAHPGDCYP1A2CYP3A4
SCHEMBL7684434 0.86 ALDH1A1 (0.37) ALDH1A1LMNAHPGDCYP1A2CYP3A4
SCHEMBL7676849 0.86 CASP1 (0.38) ALDH1A1LMNAHPGDNPSR1POLB
SCHEMBL7684617 0.86 ALDH1A1 (0.34) ALDH1A1LMNAHPGDCYP2C19L3MBTL1
SCHEMBL7679379 0.86 ALDH1A1 (0.38) ALDH1A1LMNAHPGDCYP1A2CYP3A4
SCHEMBL7675885 0.85 ALDH1A1 (0.34) ALDH1A1LMNAHPGDCYP1A2CYP3A4
SCHEMBL7679414 0.84 ALDH1A1 (0.41) ALDH1A1LMNAHPGDCYP3A4CYP2C9

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