SCHEMBL7981480

SCHEMBL7981480

CC(C)c1cc(S(=O)(=O)O)ccc1NN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 4/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 3/20 0.38
TSHR P16473 2/20 0.37
NT5E P21589 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
SNCA P37840 1/20 0.36
CASP6 P55212 2/20 0.36
CA7 P43166 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 SCHEMBL7976797 0.98 CA1 (0.39) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL10351050 0.83 CA1 (0.47) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL7978251 0.77 ALDH1A1 (0.52) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL11715144 0.77 CA1 (0.43) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL21589350 0.77 ALDH1A1 (0.55) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL21589351 0.75 ALDH1A1 (0.58) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL17417188 0.75 HTT (0.54) CA1CA2ALDH1A1HSD17B10FABP3
SCHEMBL18523201 0.75 ALDH1A1 (0.53) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL13624547 0.75 FABP3 (0.44) CA1CA2ALDH1A1HSD17B10FABP3
SCHEMBL18746462 0.75 MAPT (0.34) ALDH1A1HSD17B10FABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5939449-A NOVEL COMPOUNDS HAVING HIGH AFFINITY FOR THE NEUROTENSIN RECEPTORS SANOFI (FR) 1999-08-17 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
CN-1184469-A 1-phenyl-3-pyrazolecarboxamides active on neurotensin receptors SANOFI SA (FR) 1998-06-10 CN disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed