SCHEMBL7427401

SCHEMBL7427401

O=C(CC/C(=N/O)c1ccc2c3c(oc2c1)CCCC3)NO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FHIT P49789 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC1 Q13547 7/20 0.42
NFKB1 P19838 3/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL7427406 1.00 FHIT (0.43) FHITHDAC8HDAC1NFKB1KMT2A
SCHEMBL7427640 0.87 KDM4E (0.47) NFKB1KMT2AKDM4EMAPTMEN1
SCHEMBL7427638 0.87 KDM4E (0.47) NFKB1KMT2AKDM4EMAPTMEN1
SCHEMBL7424869 0.86 KDM4E (0.47) NFKB1KMT2AKDM4EMAPTMEN1
SCHEMBL7424866 0.86 KDM4E (0.47) NFKB1KMT2AKDM4EMAPTMEN1
SCHEMBL7428940 0.86 FHIT (0.46) FHITHDAC1NFKB1KMT2AMAPT
SCHEMBL7478843 0.85 KDM4E (0.45) NFKB1KMT2AKDM4EMAPTMEN1
SCHEMBL7478838 0.85 KDM4E (0.45) NFKB1KMT2AKDM4EMAPTMEN1
SCHEMBL10187521 0.77 CYP1A2 (0.36) NFKB1KMT2AKDM4EMAPTNPC1
SCHEMBL10187520 0.72 CYP1A2 (0.47) NFKB1KMT2AKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350885-B1 TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURYSM, HEART FAILURE, LEFT VENTRICULAR DILATION, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING AGENT WARNER-LAMBERT COMPANY 2002-02-26 US claimed
WO-2000006560-A1 TRICYCLIC HETEROAROMATICS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
US-6350885-B1 TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURYSM, HEART FAILURE, LEFT VENTRICULAR DILATION, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING AGENT WARNER-LAMBERT COMPANY 2002-02-26 US disclosed
WO-2000006560-A1 TRICYCLIC HETEROAROMATICS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed