SCHEMBL21035007

SCHEMBL21035007

N[C@H]1CCN(C(=O)[C@@H]2C[C@H](Oc3ccc(-c4ccc(Cl)cc4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.53
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 1/20 0.41
ADAM17 P78536 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL21035085 1.00 GHSR (0.53) GHSRMEN1KMT2AMMP1ADAM17
SCHEMBL21036276 1.00 GHSR (0.53) GHSRMEN1KMT2AMMP1ADAM17
SCHEMBL21002027 1.00 GHSR (0.53) GHSRMEN1KMT2AMMP1ADAM17
SCHEMBL21035642 1.00 GHSR (0.53) GHSRMEN1KMT2AMMP1ADAM17
SCHEMBL21035578 0.95 GHSR (0.46) GHSRMEN1KMT2AMMP1ADAM17
SCHEMBL21035126 0.95 GHSR (0.46) GHSRMEN1KMT2AMMP1ADAM17
SCHEMBL21035349 0.95 GHSR (0.46) GHSRMEN1KMT2AMMP1ADAM17
SCHEMBL21035337 0.93 KMT2A (0.45) GHSRMEN1KMT2AMMP1ADAM17
SCHEMBL21035496 0.91 KMT2A (0.44) GHSRMEN1KMT2AMMP1ADAM17
SCHEMBL21036263 0.91 KMT2A (0.44) GHSRMEN1KMT2AMMP1ADAM17

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-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed