SCHEMBL21780625

SCHEMBL21780625

COc1cc(Cl)nc(Cl)c1CCC(C)NOC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21780624 0.81 ABCB1 (0.38) MEN1KMT2A
SCHEMBL31072039 0.81 ABCB1 (0.38) MEN1KMT2A
SCHEMBL21767489 0.80 TAS1R3 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL21780640 0.77 HTR2A (0.36)
SCHEMBL21780623 0.77 HTR2A (0.36)
Hydrochloric Acid SCHEMBL21767605 0.76 HTR2A (0.35)
Hydrochloric Acid SCHEMBL31072021 0.76 HTR2A (0.35)
SCHEMBL22734130 0.71 KDM4E (0.30)
SCHEMBL28566097 0.70 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL21780641 0.68 PGK1 (0.40)

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
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP disclosed