Isobutane

Isobutane

SCHEMBL15924017

CC(C)C.NS(=O)(=O)c1ccccc1Br

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.83
CA1 P00915 8/20 0.83
CA6 P23280 3/20 0.83
CA4 P22748 2/20 0.83
PLCG1 P19174 1/20 0.52
CA9 Q16790 9/20 0.50
CA5A P35218 4/20 0.50
CA12 O43570 4/20 0.50
CA7 P43166 3/20 0.50
CA5B Q9Y2D0 2/20 0.50
CYP2C9 P11712 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PTGES2 Q9H7Z7 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
LOX P28300 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL30630011 0.91 CA2 (1.00) CA2CA1CA6CA4PLCG1
SCHEMBL344271 0.91 CA2 (1.00) CA2CA1CA6CA4PLCG1
Potassium SCHEMBL10415326 0.89 CA2 (0.95) CA2CA1CA6CA4PLCG1
SCHEMBL10415325 0.89 CA2 (0.95) CA2CA1CA6CA4PLCG1
SCHEMBL29557979 0.78 CA1 (0.56) CA2CA1CA6CA4PLCG1
SCHEMBL1800130 0.78 CA1 (0.56) CA2CA1CA6CA4PLCG1
SCHEMBL8480118 0.78 CA2 (0.61) CA2CA1CA6CA4PLCG1
SCHEMBL31370840 0.78 CA2 (0.61) CA2CA1CA6CA4PLCG1
SCHEMBL202947 0.75 CA2 (0.70) CA2CA1CA6CA4CA9
SCHEMBL10363500 0.75 CA2 (0.63) CA2CA1CA6CA4PLCG1

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-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP disclosed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO disclosed