SCHEMBL8912751

SCHEMBL8912751

CCCNC(=S)NC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
MAPT P10636 1/20 0.39
P2RX7 Q99572 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIA2 P42262 4/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL8912358 0.87 PDE3B (0.38) PDE3BPDE3AMAPTP2RX7PDE4A
SCHEMBL8302588 0.84 PDE3B (0.44) PDE3BPDE3AMAPTPDE4APDE4B
Bromide SCHEMBL9235635 0.83 PDE3B (0.43) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL8911600 0.82 CA12 (0.52) PDE3BPDE3AMAPTP2RX7PDE4A
SCHEMBL8296106 0.80 PDE3B (0.43) PDE3BPDE3AMAPTP2RX7PDE4A
SCHEMBL8912025 0.80 PDE4A (0.40) PDE3BPDE3AMAPTP2RX7PDE4A
Bromide SCHEMBL8291044 0.79 PDE3B (0.42) PDE3BPDE3AMAPTP2RX7PDE4A
SCHEMBL8292411 0.77 PDE3B (0.42) PDE3BPDE3AMAPTP2RX7PDE4A
SCHEMBL8307491 0.77 GRIA2 (0.45) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL8302569 0.76 MAPT (0.42) PDE3BPDE3AMAPTPDE4APDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605901-A THERAPY FOR GRAM-NEGATIVE BACTERIA, NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 US disclosed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US disclosed
EP-0661274-A1 Indane derivatives, processes for preparing the same and synthetic intermediate of the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed