SCHEMBL9103785

SCHEMBL9103785

CC(C)(C)c1c(Br)cccc1S(N)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.57
CA1 P00915 11/20 0.57
CA6 P23280 3/20 0.57
CA4 P22748 2/20 0.57
CA9 Q16790 8/20 0.42
CA5A P35218 4/20 0.42
CA12 O43570 3/20 0.42
CA7 P43166 3/20 0.42
CA5B Q9Y2D0 2/20 0.42
CYP2C9 P11712 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CDK2 P24941 1/20 0.41
PLCG1 P19174 1/20 0.39
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36

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
Hydrochloric Acid SCHEMBL28161501 0.81 CA1 (0.39) CA2CA1CA6CA4CDK2
SCHEMBL14918216 0.78 ALDH1A1 (0.39) CA2CA1CA6CA4PLCG1
SCHEMBL2557830 0.76 CDK2 (0.42) CA2CA1CA6CA4CA9
SCHEMBL8480118 0.75 CA2 (0.61) CA2CA1CA6CA4CA9
SCHEMBL31370840 0.75 CA2 (0.61) CA2CA1CA6CA4CA9
SCHEMBL16012994 0.74 CA1 (0.41) CA2CA1CA6CA4CA9
SCHEMBL528641 0.74 CA2 (0.67) CA2CA1CA6CA4CA9
SCHEMBL9321209 0.74 ALDH1A1 (0.50) CA2CA1CA6CA4CA9
SCHEMBL30630011 0.73 CA2 (1.00) CA2CA1CA6CA4CA9
SCHEMBL344271 0.73 CA2 (1.00) CA2CA1CA6CA4CA9

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
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed