SCHEMBL6980313

SCHEMBL6980313

O=Cc1ccc2sccc2c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.43
PTGS1 P23219 1/20 0.37
ERN1 O75460 2/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.30
HTT P42858 2/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
HPGD P15428 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4444860 0.82 CYP2A6 (0.44) CYP2A6PTGS1ERN1KDM4EMAPT
SCHEMBL31280833 0.77 CYP2A6 (0.43) CYP2A6ERN1
SCHEMBL6984412 0.77 CYP2A6 (0.47) CYP2A6KDM4EMAPTALDH1A1HTT
SCHEMBL6973728 0.77 CYP2A6 (0.43) CYP2A6KDM4EMAPTALDH1A1HTT
SCHEMBL6975978 0.77 CYP2A6 (0.44) CYP2A6ERN1KDM4EMAPTALDH1A1
SCHEMBL7067241 0.73 CA1 (0.42) CYP2A6ERN1KDM4EMAPTALDH1A1
SCHEMBL2263913 0.72 CYP2A6 (0.57) CYP2A6ERN1KDM4EMAPTALDH1A1
SCHEMBL31306389 0.71 TDP1 (0.47) ERN1KDM4EALDH1A1TDP1MEN1
SCHEMBL31306390 0.71 TDP1 (0.47) ERN1KDM4EALDH1A1TDP1MEN1
SCHEMBL1806887 0.71 TDP1 (0.47) ERN1KDM4EALDH1A1TDP1MEN1

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