SCHEMBL7313744

SCHEMBL7313744

N=C(N)Nc1ccccc1C([O])=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
CTSK P43235 1/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL45762 0.86 KDM4E (0.60) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL30139987 0.86 KDM4E (0.60) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL233797 0.85 KMT2A (0.57) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
Benzene SCHEMBL27690342 0.85 KMT2A (0.57) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6013658 0.83 KMT2A (0.55) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL10816174 0.82 KDM4E (0.42) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11793085 0.81 KDM4E (0.46) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL11760578 0.81 GAA (0.61) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL11363904 0.80 KMT2A (0.65) KDM4EPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL11795244 0.80 ALDH1A1 (0.59) KDM4EALDH1A1HPGDGAAPDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US claimed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP claimed
EP-0821689-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS Drug Innovation & Design, Inc. (US) 1998-02-04 EP disclosed
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US disclosed
WO-1996033198-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN, INC. (US) 1996-10-24 WO disclosed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP disclosed
US-5116985-A Protease Inhibitors, Antitrypsin Agents SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1992-05-26 US disclosed
EP-0435235-A1 Isoquinoline derivatives and salts thereof as protease inhibitors. SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1991-07-03 EP disclosed
US-4843094-A ELASTASE INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 US disclosed