SCHEMBL8600219

SCHEMBL8600219

COCc1ccc2c(=S)cc[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
DYRK1A Q13627 1/20 0.43
BAD Q92934 1/20 0.33
CHEK1 O14757 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PSMD14 O00487 1/20 0.31
RET P07949 1/20 0.31
CA2 P00918 1/20 0.31
KIF11 P52732 1/20 0.30
MAPT P10636 1/20 0.30
PDK2 Q15119 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
SCHEMBL8600746 0.82 CYP3A4 (0.43) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL8603411 0.79 RHEB (0.42) MAOADYRK1AALDH1A1MEN1KMT2A
SCHEMBL8603563 0.79 PARP1 (0.39) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1607615 0.77 MEN1 (0.55) MAOADYRK1AALDH1A1MEN1KMT2A
SCHEMBL8603460 0.76 KMT2A (0.58) DYRK1AALDH1A1MEN1KMT2APOLB
SCHEMBL8600706 0.75 FEN1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL8599590 0.75 MAOA (0.40) MAOAKMT2APOLB
SCHEMBL8604181 0.75 HTR1A (0.46) LMNATP53ALDH1A1KDM4E
SCHEMBL8602835 0.75 HTR1A (0.46) LMNATP53ALDH1A1KDM4E
SCHEMBL3149877 0.74 USP2 (0.50) MAOALMNATP53MEN1KMT2A

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