SCHEMBL7410460

SCHEMBL7410460

Cc1ccc(S(=O)(=O)N(C)C2([C]=O)CCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
GLA P06280 1/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
C5AR1 P21730 1/20 0.42
AGER Q15109 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.37
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
MMP2 P08253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7408145 0.95 KMT2A (0.46) MAPTMCOLN3GLAKMT2ASMN1; SMN2
SCHEMBL7406093 0.94 MAPT (0.47) MAPTMCOLN3GLAKMT2ASMN1; SMN2
SCHEMBL5852079 0.71 PLAU (0.49) MAPTMCOLN3GLAKMT2ASMN1; SMN2
SCHEMBL30963086 0.69 MAPT (0.49) MAPTMCOLN3GLAKMT2ASMN1; SMN2
SCHEMBL30963115 0.68 MAPT (0.47) MAPTMCOLN3GLAKMT2ASMN1; SMN2
SCHEMBL5880406 0.67 MAPT (0.65) MAPTMCOLN3GLASMN1; SMN2C5AR1
SCHEMBL82589 0.67 MAPT (0.65) MAPTMCOLN3GLAKMT2ASMN1; SMN2
SCHEMBL26413518 0.67 MAPT (0.65) MAPTMCOLN3GLASMN1; SMN2C5AR1
SCHEMBL7541382 0.65 SMN1; SMN2 (0.92) MCOLN3KMT2ASMN1; SMN2CA12CA9
SCHEMBL6990099 0.65 MAPT (0.61) MAPTMCOLN3GLASMN1; SMN2C5AR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994895-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
WO-1999006435-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed