SCHEMBL21035342

SCHEMBL21035342

NC1CCN(C(=O)[C@H]2CN(Cc3ccc(-c4ccc(Cl)cc4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP1 P03956 2/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
CHEK2 O96017 2/20 0.42
ADAM17 P78536 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL21035443 1.00 GHSR (0.47) GHSRMEN1KMT2AMMP1MMP3
SCHEMBL21035601 1.00 GHSR (0.47) GHSRMEN1KMT2AMMP1MMP3
SCHEMBL21036206 0.94 MEN1 (0.45) GHSRMEN1KMT2AMMP1MMP3
SCHEMBL21035327 0.94 MEN1 (0.45) GHSRMEN1KMT2AMMP1MMP3
SCHEMBL21034954 0.94 MEN1 (0.45) GHSRMEN1KMT2AMMP1MMP3
SCHEMBL21036230 0.94 GHSR (0.44) GHSRMEN1KMT2AMMP1MMP3
SCHEMBL21034943 0.93 GHSR (0.47) GHSRMMP1MMP3MMP7MMP9
SCHEMBL21035091 0.93 GHSR (0.44) GHSRMEN1KMT2AMMP1MMP3
SCHEMBL21035089 0.92 GHSR (0.45) GHSRMEN1KMT2AMMP1MMP3
SCHEMBL21002184 0.91 MEN1 (0.43) GHSRMEN1KMT2AMMP1MMP3

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