SCHEMBL22019137

SCHEMBL22019137

CCCC1CCCCN1c1ncc(C(=O)c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
MLYCD O95822 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CNR2 P34972 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
SCHEMBL21962621 0.91 VNN1 (0.38) VNN1LMNATSHRHTTSMN1; SMN2
SCHEMBL22019142 0.91 VNN1 (0.38) VNN1LMNATSHRHTTSMN1; SMN2
SCHEMBL21962810 0.88 VNN1 (0.39) VNN1LMNATSHRHTTSMN1; SMN2
SCHEMBL22020078 0.88 VNN1 (0.39) VNN1LMNATSHRHTTSMN1; SMN2
SCHEMBL22019589 0.88 VNN1 (0.36) VNN1LMNADRD2DRD3MLYCD
SCHEMBL22019317 0.83 CPT2 (0.39) LMNATSHRHTTSMN1; SMN2MLYCD
SCHEMBL21962690 0.83 CPT2 (0.39) LMNATSHRHTTSMN1; SMN2MLYCD
SCHEMBL21962778 0.81 MLYCD (0.48) VNN1LMNATSHRHTTSMN1; SMN2
SCHEMBL21962682 0.80 NR1H2 (0.39) MLYCD
SCHEMBL21962816 0.80 MLYCD (0.48) VNN1LMNATSHRHTTSMN1; SMN2

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
WO-2020102575-A1 HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF INCEPTION IBD, INC. (US) 2020-05-22 WO disclosed