SCHEMBL8603311

SCHEMBL8603311

COc1cccc2c(=S)cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 5/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ PSMB8 P28062 1/20 0.44
▸ DYRK1A Q13627 2/20 0.43
▸ NQO2 P16083 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL8600076 0.81 ADRB3 (0.37) HTR2AALDH1A1MAPTPOLBGAA
SCHEMBL29052296 0.79 KDM4E (0.57) HTR2AKDM4EALDH1A1HPGDHTR6
SCHEMBL8602787 0.76 MAPT (0.55) HTR2AALDH1A1HPGDMAPTPOLB
SCHEMBL594125 0.73 BCHE (0.56) HTR2AKDM4EALDH1A1HPGDPSMB8
SCHEMBL593491 0.72 KDM4E (0.42) HTR2AKDM4EALDH1A1HPGDHTR6
SCHEMBL8604191 0.71 GAA (0.35) KDM4EALDH1A1DYRK1AMEN1KMT2A
SCHEMBL8601952 0.71 ALDH1A1 (0.38) ALDH1A1HPGDMAPTPOLBGAA
SCHEMBL8926562 0.70 HTR2A (0.57) HTR2AKDM4EALDH1A1HPGDHTR6
SCHEMBL8603592 0.70 RXFP1 (0.38) KDM4EALDH1A1NQO2MAPTPOLB
SCHEMBL28325027 0.70 KDM4E (0.62) HTR2AKDM4EALDH1A1HPGDHTR6

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-5773449-A BACTERICIDES FOR HELICOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1998-06-30 — — US disclosed
EP-0786454-A1 THIOQUINOLONE DERIVATIVE ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1997-07-30 — — EP disclosed
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