SCHEMBL7975366

SCHEMBL7975366

Nc1ccc(S(=O)(=O)O)c2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
TTR P02766 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NQO1 P15559 1/20 0.35
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
METAP2 P50579 1/20 0.33
NT5E P21589 1/20 0.33
NR4A1 P22736 1/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP6 P55212 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9366062 0.82 CA1 (0.42) AURKAAURKBMEN1KMT2AALDH1A1
SCHEMBL7782782 0.78 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL4823261 0.76 NOS3 (0.41) MEN1KMT2AALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL7978407 0.75 RAPGEF4 (0.34) MEN1KMT2AALDH1A1METAP2CASP6
SCHEMBL7922000 0.74 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL21451652 0.73 NOS3 (0.39) MEN1KMT2AALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL4817979 0.73 NOS3 (0.39) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL4822580 0.71 ACHE (0.36) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL4352952 0.71 ALDH1A1 (0.48) KMT2AALDH1A1TSHRKDM4EGAA
SCHEMBL7571936 0.70 AURKA (0.58) AURKAAURKBTTRMEN1KMT2A

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
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed
US-4153687-A Derivatives, having an inhibitory action against protease and an antiphlogistic action, of the trypsin-kallikrein inhibitor obtained from cattle organs (BPTI), their preparation and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-05-08 US disclosed