SCHEMBL21035337

SCHEMBL21035337

NC1CCN(C(=O)[C@@H]2C[C@@H](Oc3ccc(Cl)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GHSR Q92847 9/20 0.44
MMP1 P03956 1/20 0.43
ADAM17 P78536 1/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
RGS12 O14924 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL21035126 0.98 GHSR (0.46) KMT2AMEN1GHSRMMP1ADAM17
SCHEMBL21035578 0.98 GHSR (0.46) KMT2AMEN1GHSRMMP1ADAM17
SCHEMBL21035349 0.98 GHSR (0.46) KMT2AMEN1GHSRMMP1ADAM17
SCHEMBL21034931 0.93 LMNA (0.45) KMT2AMEN1GHSRMMP1ADAM17
SCHEMBL21036276 0.93 GHSR (0.53) KMT2AMEN1GHSRMMP1ADAM17
SCHEMBL21035085 0.93 GHSR (0.53) KMT2AMEN1GHSRMMP1ADAM17
SCHEMBL21002027 0.93 GHSR (0.53) KMT2AMEN1GHSRMMP1ADAM17
SCHEMBL21035642 0.93 GHSR (0.53) KMT2AMEN1GHSRMMP1ADAM17
SCHEMBL21035007 0.93 GHSR (0.53) KMT2AMEN1GHSRMMP1ADAM17
SCHEMBL21034988 0.91 KMT2A (0.44) KMT2AMEN1GHSRMMP1ADAM17

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