Allobarbital

Allobarbital

SCHEMBL7871535

C=CCC1(CC=C)C(=O)N2C(=O)N2C1=O.C=CCC1(CC=C)C(=O)NC(=O)NC1=O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.38
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
Allobarbital SCHEMBL35976 0.84 LMNA (0.48) MMP9LMNATP53
Allobarbital SCHEMBL11484021 0.82 LMNA (0.46) MMP9LMNATP53
Allobarbital SCHEMBL10817112 0.76 MMP9 (0.41) MMP9LMNATP53
Allobarbital SCHEMBL1887977 0.76 LMNA (0.50) MMP9LMNATP53KDM4E
Etallobarbital SCHEMBL713588 0.73 LMNA (0.64) MMP9LMNATP53KDM4E
SCHEMBL2048015 0.73 MMP9 (0.42) MMP9LMNATP53
SCHEMBL2048014 0.73 MMP9 (0.42) MMP9LMNATP53
SCHEMBL7646655 0.71 MMP9 (0.41) MMP9LMNATP53
SCHEMBL5065701 0.70 ALDH1A1 (0.43) MMP9LMNA
SCHEMBL2051800 0.69 MMP9 (0.36) MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310216-B1 Special 3-azabicyclo[3.1.0]hexanes, method for producing and modifying the same, and their use BAYER AKTIENGESELLSCHAFT (DE) 2001-10-30 US disclosed
US-6114546-A Aminomethylene derivatives and ultraviolet absorbent comprising thereof CHEMIPRO KASEI KAISHA, LIMITED (JP) 2000-09-05 US disclosed
EP-0950655-A1 AMINOMETHYLENE DERIVATIVES AND ULTRAVIOLET ABSORBER COMPRISING THE SAME CHEMIPRO KASEI KAISHA, LIMITED (JP) 1999-10-20 EP disclosed