SCHEMBL7307750

SCHEMBL7307750

CC(=O)OCc1cc(Cl)cc(OC(=O)c2ccc(NC(=N)N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 2/20 0.45
PRSS1 P07477 3/20 0.42
ACR P10323 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
POLB P06746 1/20 0.38

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
Acetic Acid SCHEMBL7307745 0.87 KMT2A (0.47) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL9835061 0.83 KMT2A (0.48) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7319794 0.82 KMT2A (0.50) KMT2AMEN1MAPTSMN1; SMN2CYP2C9
SCHEMBL7319782 0.80 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1PRSS1
SCHEMBL9835889 0.78 KMT2A (0.44) KMT2AMEN1MAPTSMN1; SMN2PRSS1
Acetic Acid SCHEMBL7314947 0.78 KMT2A (0.45) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL7319785 0.78 KMT2A (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9690520 0.77 KMT2A (0.45) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL9689332 0.76 MEN1 (0.43) KMT2AMEN1SMN1; SMN2PRSS1ACR
SCHEMBL9584464 0.75 ALDH1A1 (0.45) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5376655-A Elastase inhibitor ONO PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 US disclosed
US-5247084-A Inhibitors of elastase ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-21 US disclosed
US-5077428-A Antiinflammatory agents ONO PHARMACEUTICAL CO., LTD. (JP) 1991-12-31 US disclosed
EP-0222608-B1 DERIVATIVES OF P-GUANIDINOBENZOIC ACID AND PHARMACEUTICAL AGENTS CONTAINING THEM AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed
US-4975464-A ADMINISTERING DERIVATIVES OF P-GUANIDINOBENZOIC ACID IMAKI KATSUHIRO (JP) 1990-12-04 US disclosed
US-4843094-A ELASTASE INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 US disclosed
EP-0222608-A2 Derivatives of p-guanidinobenzoic acid and pharmaceutical agents containing them as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1987-05-20 EP disclosed