SCHEMBL10539247

SCHEMBL10539247

O=C(O)C1CSc2sccc2C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 1/20 0.34
ACE P12821 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
POLB P06746 1/20 0.31
PDE7A Q13946 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPK10 P53779 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
SCHEMBL10539269 0.86 RAB9A (0.35) KMT2APDE7AMAPK10
SCHEMBL10652126 0.77 KMT2A (0.33) KMT2AACE
SCHEMBL2460519 0.74 KMT2A (0.45) KMT2AKDM4CACEL3MBTL1NOS3
SCHEMBL10543054 0.72 NOS3 (0.33) NOS3NOS2
SCHEMBL9459194 0.71 NPC1 (0.36) KMT2AACEL3MBTL1POLB
SCHEMBL6404425 0.70 RYR2 (0.41) KMT2AMCL1
SCHEMBL8637911 0.70 AKR1C3 (0.46) KMT2AACE
SCHEMBL13851468 0.69 KMT2A (0.68) KMT2AKDM4CACEL3MBTL1NOS3
SCHEMBL21962476 0.67 DRD2 (0.43) KMT2AKDM4CACEPOLB
SCHEMBL9209684 0.66 NOTUM (0.38) KMT2ANOS3NOS2POLBMCL1

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-4816474-A CENTRAL NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1989-03-28 US disclosed
EP-0280268-A1 Thienothiopyrans CIBA-GEIGY AG (CH) 1988-08-31 EP disclosed