Isobutane

Isobutane

SCHEMBL9756824

CC(C)C.O=S1(=O)N=Cc2ccccc21

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
GPR3 P46089 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 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
SCHEMBL29398807 0.92 CA12 (0.45) CA12CA9CA1CA2MEN1
SCHEMBL88858 0.92 CA12 (0.45) CA12CA9CA1CA2MEN1
Hydrochloric Acid SCHEMBL9756819 0.90 CA12 (0.44) CA12CA9CA1CA2MEN1
SCHEMBL28201382 0.90 CA12 (0.44) CA12CA9CA1CA2MEN1
Acetic Acid SCHEMBL6200962 0.85 CA12 (0.38) CA12CA9CA1CA2MEN1
Oxazole SCHEMBL4863479 0.74 CA12 (0.33) CA12CA9CA1CA2
Hydrochlorthiazide SCHEMBL6036314 0.74 CA12 (0.33) CA12CA9CA1CA2
SCHEMBL29429784 0.73 CA12 (0.42) CA12CA9CA1CA2GPR3
SCHEMBL11256812 0.71 CA12 (0.35) CA12CA9CA1CA2MEN1
SCHEMBL5613160 0.68 CA12 (0.40) CA12CA9CA1CA2GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003074-A N-fluorinated sulfonamides CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed