SCHEMBL29697017

SCHEMBL29697017

O=C(CSc1ccc(F)cc1Cl)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
HRH3 Q9Y5N1 13/20 0.47
AR P10275 5/20 0.46

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
SCHEMBL24564645 1.00 MEN1 (0.50) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL29697148 0.88 HRH3 (0.50) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL29696971 0.88 AR (0.52) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL24564593 0.88 AR (0.52) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL24564742 0.88 HRH3 (0.50) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL24564638 0.87 SIGMAR1 (0.54) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL24564541 0.86 MEN1 (0.55) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL24581213 0.86 ALDH1A1 (0.42) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL24564631 0.83 SIGMAR1 (0.54) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL24564625 0.82 MEN1 (0.55) MEN1ALDH1A1LMNAMAPTTSHR

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-2022140464-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed