SCHEMBL7465787

SCHEMBL7465787

Cc1ccc(S(=O)(=O)OCCC(CNN(CC=O)C(=O)OCc2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
P2RX7 Q99572 5/20 0.37
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
ELANE P08246 1/20 0.34
CCR5 P51681 1/20 0.34

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
SCHEMBL7466059 0.95 LMNA (0.40) LMNAMAPTCA1CA2P2RX7
SCHEMBL7462484 0.81 CCR6 (0.40) LMNAKMT2ACCR5
SCHEMBL7465122 0.80 CCR6 (0.37) LMNAKMT2ACCR5
SCHEMBL7467499 0.79 CCR6 (0.41) LMNA
SCHEMBL7465776 0.78 MCHR1 (0.53) LMNAMAPTCA1CA2P2RX7
SCHEMBL7464946 0.78 MCHR1 (0.39) LMNAKMT2ACCR5
SCHEMBL8312617 0.76 CYP24A1 (0.37) CA1CA2KMT2AGAAPKM
Hydrochloric Acid SCHEMBL7461937 0.75 HTR7 (0.39)
Hydrochloric Acid SCHEMBL7460657 0.75 SIGMAR1 (0.39)
SCHEMBL7462760 0.74 ENPP3 (0.34) LMNAMAPTKMT2AGAA

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-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed