SCHEMBL7686237

SCHEMBL7686237

CC(=O)Nc1ccc(CCSC(=O)NC(CC(=O)O)C(=O)Cn2nnc(Sc3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 3/20 0.35
POLB P06746 2/20 0.35
CNKSR1 Q969H4 1/20 0.34
OGT O15294 1/20 0.34
MAPT P10636 6/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 2/20 0.32
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 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
SCHEMBL7675970 0.91 CASP1 (0.36) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL7684625 0.90 CASP1 (0.34) MEN1KMT2ATP53CASP3ITGB1
SCHEMBL7680229 0.88 SMN1; SMN2 (0.39) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL8177147 0.86 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL7684507 0.85 MTNR1A (0.33) RAB9ANPC1MAPTALDH1A1TP53
SCHEMBL7683953 0.85 ALDH1A1 (0.40) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL7678033 0.85 CASP1 (0.36) TP53CASP3
SCHEMBL7679637 0.85 MAPT (0.34) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL7679529 0.85 TP53 (0.36) MEN1KMT2APOLBTP53CASP3
SCHEMBL7678054 0.84 USP2 (0.35) RAB9AMEN1KMT2ANPC1TP53

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