SCHEMBL21783783

SCHEMBL21783783

Cc1ccc(I)c(O)c1C(=O)OCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
DRD3 P35462 1/20 0.42
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
SLC29A1 Q99808 4/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KCNH2 Q12809 2/20 0.35
ABCC4 O15439 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL21705286 0.91 CYP2D6 (0.44) HRH3DRD3CYP2D6KDM4EGAA
SCHEMBL21705285 0.82 HRH3 (0.43) HRH3DRD3CYP2D6KDM4EGAA
SCHEMBL21705232 0.79 HRH3 (0.40) HRH3DRD3CYP2D6KDM4EGAA
SCHEMBL26426639 0.75 KDM4E (0.41) HRH3DRD3CYP2D6KDM4EGAA
SCHEMBL21705921 0.75 HRH3 (0.41) HRH3GAASLC29A1ALDH1A1L3MBTL1
SCHEMBL26426637 0.71 HRH3 (0.41) HRH3DRD3CYP2D6KDM4EGAA
SCHEMBL26354608 0.70 KMT2A (0.43) HRH3DRD3CYP2D6KDM4EGAA
SCHEMBL26426650 0.68 SLC29A1 (0.40) HRH3DRD3CYP2D6KDM4EGAA
SCHEMBL21705697 0.68 KMT2A (0.51) HRH3DRD3CYP2D6ALDH1A1TSHR
SCHEMBL21705616 0.68 HRH3 (0.39) HRH3CYP2D6SLC29A1ALDH1A1TSHR

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-11187980-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-30 US disclosed
US-20200073237-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-05 US disclosed