SCHEMBL6973853

SCHEMBL6973853

O=Cc1ccc2scc(F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.47
ERN1 O75460 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER4 P35408 1/20 0.37
KIF11 P52732 3/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
CMA1 P23946 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL16693150 0.87 CYP2A6 (0.42) CYP2A6ERN1ALDH1A1SMN1; SMN2PTGER4
SCHEMBL6976249 0.81 CYP2A6 (0.56) CYP2A6ERN1ALDH1A1PTGER4KIF11
SCHEMBL6974981 0.79 CYP2A6 (0.55) CYP2A6ALDH1A1SMN1; SMN2PTGER4KIF11
SCHEMBL19462649 0.75 CYP2A6 (0.42) CYP2A6ALDH1A1SMN1; SMN2PTGER4KIF11
SCHEMBL6979386 0.74 ERN1 (0.47) CYP2A6ERN1ALDH1A1SMN1; SMN2KIF11
SCHEMBL8720613 0.73 CYP2A6 (0.50) CYP2A6ALDH1A1PTGER4KIF11KDM4E
SCHEMBL31083678 0.73 CYP2A6 (0.50) CYP2A6ALDH1A1PTGER4KIF11KDM4E
SCHEMBL17669303 0.71 FFAR1 (0.46) CYP2A6ERN1KIF11PTGS2PTGS1
SCHEMBL17669294 0.71 CYP2A6 (0.42) CYP2A6ERN1ALDH1A1SMN1; SMN2KIF11
SCHEMBL10018348 0.69 CYP2A6 (0.47) CYP2A6ALDH1A1PTGER4KIF11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020427-B1 Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2003-10-01 EP disclosed
EP-1223169-A1 Agent for potentiating nerve growth factor activity containg 1,2-ethanediol derivate or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2002-07-17 EP disclosed
EP-0790246-B1 POTENTIATOR FOR NERVE GROWTH FACTOR ACTIVITY CONTAINING 1,2-ETHANEDIOL DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-01-16 EP disclosed
US-6103754-A Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2000-08-15 US disclosed
EP-1020427-A1 Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2000-07-19 EP disclosed
US-6034119-A Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2000-03-07 US disclosed
US-5968935-A ADMINISTERING TO TREAT NERVOUS SYSTEM DISORDERS TOYAMA CHEMICAL CO.., LTD. (JP) 1999-10-19 US disclosed
US-5932620-A Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-03 US disclosed
US-5922721-A USE IN TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S CHOREA, AMYOTROPHIC LATERAL SCLEROSIS AND TRAUAMTIC NERVE INJURIES TOYAMA CHEMICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5807887-A COGNITION ACTIVATOR; ALZHEIMER*S, HUNTINGTON DISEASE TOYAMA CHEMICAL CO., LTD. (JP) 1998-09-15 US disclosed
EP-0790246-A1 POTENTIATOR FOR NERVE GROWTH FACTOR ACTIVITY CONTAINING 1,2-ETHANEDIOL DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-08-20 EP disclosed