SCHEMBL7683953

SCHEMBL7683953

CC(=O)Nc1ccc(CCSC(=O)NC(CC(=O)O)C(=O)Cn2nnnc2Sc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 2/20 0.35
GLA P06280 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7677059 0.91 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL7675885 0.90 ALDH1A1 (0.34) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL7679414 0.88 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1CYP3A4CYP2C9
SCHEMBL8307740 0.86 ALDH1A1 (0.34) ALDH1A1LMNAUSP2HPGDHTT
SCHEMBL7687093 0.86 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL7681897 0.85 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL7686237 0.85 RAB9A (0.35) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL7678219 0.85 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL7679379 0.84 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL7687004 0.83 ALDH1A1 (0.36) ALDH1A1LMNAKMT2ACYP2C19NPC1

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