SCHEMBL9872891

SCHEMBL9872891

CO/N=C(/CCCSc1cccc(C)c1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
DRD4 P21917 10/20 0.41
DRD2 P14416 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9872892 1.00 SLC6A4 (0.43) SLC6A4DRD4DRD2SMN1; SMN2NPC1
SCHEMBL9874645 0.85 SLC6A4 (0.46) SLC6A4DRD4DRD2NPC1RAB9A
SCHEMBL9874641 0.85 SLC6A4 (0.46) SLC6A4DRD4DRD2NPC1RAB9A
SCHEMBL9775196 0.79 ALDH1A1 (0.53) DRD4DRD2SMN1; SMN2NPC1RAB9A
SCHEMBL18601776 0.72 HTR7 (0.53) SLC6A4DRD4DRD2SMN1; SMN2PPARG
SCHEMBL6814945 0.72 HTR7 (0.53) SLC6A4DRD4DRD2SMN1; SMN2PPARG
SCHEMBL9872696 0.72 SLC6A4 (0.44) SLC6A4DRD4DRD2PPARGPPARA
SCHEMBL9872693 0.72 SLC6A4 (0.44) SLC6A4DRD4DRD2PPARGPPARA
SCHEMBL318891 0.71 SLC6A4 (0.51) SLC6A4DRD4DRD2SMN1; SMN2NPC1
SCHEMBL318549 0.71 SLC6A4 (0.51) SLC6A4DRD4DRD2SMN1; SMN2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039706-A Antiinflammatory, antiallergenic agent DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-13 US disclosed