SCHEMBL9724157

SCHEMBL9724157

Clc1cccc(Sc2cccs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.48
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FBP1 P09467 2/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RHEB Q15382 1/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DHFR P00374 1/20 0.37
GRM5 P41594 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL31351864 0.86 FBP1 (0.52) PDE7AKDM4EPKML3MBTL1FBP1
SCHEMBL6778047 0.79 FBP1 (0.48) PDE7AKDM4EL3MBTL1FBP1KMT2A
SCHEMBL9724099 0.78 PDE7A (0.44) PDE7AL3MBTL1FBP1GRM5LMNA
SCHEMBL28656445 0.78 FBP1 (0.43) PDE7AKDM4EFBP1ALDH1A1CYP1A2
SCHEMBL30688805 0.77 POLB (0.56) KDM4EPKML3MBTL1FBP1KMT2A
SCHEMBL29543630 0.77 POLB (0.56) KDM4EPKML3MBTL1FBP1KMT2A
SCHEMBL2282611 0.77 POLB (0.56) KDM4EPKML3MBTL1FBP1KMT2A
SCHEMBL588852 0.76 FBP1 (0.54) PDE7AKDM4EPKML3MBTL1FBP1
SCHEMBL10596007 0.75 POLB (0.55) KDM4EPKML3MBTL1FBP1KMT2A
Hydrogen Sulfide SCHEMBL2786811 0.74 FBP1 (0.52) PDE7AKDM4EPKML3MBTL1FBP1

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-5158971-A Antiallergens, antiinflammatory agents LILLY INDUSTRIES LIMITED (GB) 1992-10-27 US disclosed
EP-0459748-A2 Thien-2-yl methylurea derivatives as leukotriene inhibitors LILLY INDUSTRIES LIMITED (GB) 1991-12-04 EP disclosed