Isobutane

Isobutane

SCHEMBL5178659

CC(C)C.CC(C)C.CNc1ccc(CCc2csc(NC(C)=O)n2)s1.NC(=O)O.NC(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.53
MAOB P27338 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
Carbamic Acid SCHEMBL4890251 0.97 AOC3 (0.56) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL14281008 0.84 AOC3 (0.56) AOC3MAOBSMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL4883513 0.83 AOC3 (0.55) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4890242 0.83 AOC3 (0.52) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL16266006 0.80 AOC3 (0.51) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL974214 0.79 AOC3 (0.73) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL972138 0.79 AOC3 (0.65) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL5201750 0.79 AOC3 (0.53) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL972980 0.78 AOC3 (0.57) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4886677 0.78 AOC3 (0.57) AOC3MAOBSMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO disclosed