SCHEMBL6979386

SCHEMBL6979386

O=Cc1ccc2scc(-c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CYP2A6 P11509 4/20 0.42
IP6K1 Q92551 1/20 0.41
KIF11 P52732 2/20 0.39
MAOB P27338 1/20 0.39
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SLC12A2 P55011 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC12A5 Q9H2X9 1/20 0.35
HDAC2 Q92769 1/20 0.35
AXL P30530 1/20 0.35

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
SCHEMBL17669294 0.80 CYP2A6 (0.42) ERN1ALDH1A1MEN1NPC1KMT2A
SCHEMBL17669303 0.80 FFAR1 (0.46) ERN1CYP2A6KIF11MAOB
SCHEMBL2830048 0.79 ERN1 (0.59) ERN1ALDH1A1POLBCYP2A6MAOB
SCHEMBL1311055 0.78 GSK3B (0.43) ERN1MEN1NPC1KMT2ACYP2A6
SCHEMBL23987244 0.75 CYP2A6 (0.49) ERN1ALDH1A1CYP2A6MAOBGSK3B
SCHEMBL9565864 0.75 MAPT (0.46) ALDH1A1MEN1KMT2AKDM4ECYP2A6
SCHEMBL23987324 0.75 MAOB (0.38) ERN1CYP2A6MAOBGSK3BHDAC2
SCHEMBL11617762 0.75 CYP2A6 (0.53) ALDH1A1MEN1KMT2AKDM4ECYP2A6
SCHEMBL12365265 0.74 KDM4E (0.44) ERN1ALDH1A1MEN1NPC1KMT2A
SCHEMBL6973853 0.74 CYP2A6 (0.47) ERN1ALDH1A1MEN1KMT2AKDM4E

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