SCHEMBL8464806

SCHEMBL8464806

c1ccc2c(c1)SCN2SC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MC4R P32245 1/20 0.41
BCHE P06276 5/20 0.38
HTR2A P28223 1/20 0.38
KDM1A O60341 2/20 0.33
MAPK1 P28482 2/20 0.32
MAOA P21397 1/20 0.32
TP53 P04637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TXN P10599 1/20 0.31
NOTUM Q6P988 1/20 0.30
CYP1A2 P05177 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
SCHEMBL9860537 0.77 BCHE (0.42) ALDH1A1MAPTHPGDBCHEHTR2A
SCHEMBL11510581 0.75 NOTUM (0.37) ALDH1A1BCHEMAOANPC1RAB9A
SCHEMBL180964 0.71 BCHE (0.41) ALDH1A1PKMBCHEHTR2AKDM1A
SCHEMBL30600476 0.71 BCHE (0.41) ALDH1A1PKMBCHEHTR2AKDM1A
SCHEMBL9256686 0.68 GSK3B (0.37) ALDH1A1BCHEHTR2ANPC1RAB9A
SCHEMBL7935767 0.68 NOTUM (0.36) BCHEMAOANOTUMCYP3A4CYP2D6
SCHEMBL6534530 0.68 BCHE (0.44) BCHEHTR2ANPC1RAB9ASMN1; SMN2
SCHEMBL11721720 0.67 SLC6A2 (0.33) HTR2AKDM1ACYP2D6
SCHEMBL3087214 0.66 MEN1 (0.37) ALOX15HSD17B10ALDH1A1BCHEHTR2A
SCHEMBL4613405 0.66 NOTUM (0.34) BCHEMAOANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747429-B1 Rubber compositions containing sulfur-containing polyesters BAYER AG (DE) 1999-02-17 EP disclosed
US-5733965-A MOLDABLE RUBBER MIXTURE WITH FILLERS FOR TIRES BAYER AG (DE) 1998-03-31 US disclosed
EP-0747429-A1 Rubber compositions containing sulfur-containing polyesters BAYER AG (DE) 1996-12-11 EP disclosed
EP-0102023-B1 COMPOUNDS OF COBALT AND BORIUM, THEIR PREPARATION AND USE BAYER AG (DE) 1988-04-06 EP disclosed
US-4534901-A Cobalt-boron compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-08-13 US disclosed
EP-0056156-B1 METHOD OF IMPROVING ADHESION BETWEEN RUBBER AND METALS BAYER AG (DE) 1984-11-21 EP disclosed
EP-0102023-A2 Compounds of cobalt and borium, their preparation and use BAYER AG (DE) 1984-03-07 EP disclosed
EP-0056156-A1 Method of improving adhesion between rubber and metals BAYER AG (DE) 1982-07-21 EP disclosed