SCHEMBL9724099

SCHEMBL9724099

Clc1ccc(Sc2cccs2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.44
FBP1 P09467 2/20 0.43
GRM5 P41594 3/20 0.41
HAO1 Q9UJM8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
HTR3A P46098 1/20 0.36
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCR2 P41597 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6778047 0.79 FBP1 (0.48) PDE7AFBP1HAO1L3MBTL1MAPT
SCHEMBL31351864 0.78 FBP1 (0.52) PDE7AFBP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL9724157 0.78 PDE7A (0.48) PDE7AFBP1GRM5L3MBTL1LMNA
SCHEMBL9084641 0.76 ALDH1A1 (0.46) PDE7AFBP1HAO1MAPTSMN1; SMN2
SCHEMBL10957865 0.75 HAO1 (0.53) PDE7AFBP1GRM5HAO1MAPT
SCHEMBL11729689 0.74 KCNH2 (0.46) PDE7AFBP1SMN1; SMN2TDP1NPC1
SCHEMBL2432241 0.72 FBP1 (0.68) PDE7AFBP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL588852 0.71 FBP1 (0.54) PDE7AFBP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL2787500 0.71 NR1H2 (0.52) PDE7AFBP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6772507 0.71 FBP1 (0.48) PDE7AFBP1MAPTSMN1; SMN2DRD4

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