SCHEMBL11364002

SCHEMBL11364002

CCN(CC)S(=O)(=O)c1cc2c(c(C(=O)NC(Cc3ccccc3)c3ccc[nH]3)c1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 6/20 0.38
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CASP1 P29466 1/20 0.35
NOD2 Q9HC29 1/20 0.35
TSHR P16473 1/20 0.34

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
Phosphoric Acid SCHEMBL11257055 0.98 ALDH1A1 (0.37) ALDH1A1MAPTLMNAMAPK1POLB
SCHEMBL11261736 0.83 KCNK3 (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2KDM4E
SCHEMBL11265109 0.80 KDM4E (0.36) MAPK1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL11364643 0.80 CTNNB1 (0.44) ALDH1A1MAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11259201 0.79 KDM4E (0.35) MAPK1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL11265096 0.79 KCNK3 (0.39) ALDH1A1LMNAMAPK1GAASMN1; SMN2
SCHEMBL11269820 0.79 POLB (0.56) ALDH1A1MAPTLMNAMAPK1POLB
SCHEMBL11269520 0.78 KDM4E (0.36) ALDH1A1MAPK1SMN1; SMN2KDM4EHSD17B10
Phosphoric Acid SCHEMBL11265110 0.77 CTNNB1 (0.42) ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL11366385 0.77 KCNA5 (0.34) MAPK1SMN1; SMN2KDM4EHSD17B10HPGD

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-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US claimed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US claimed