SCHEMBL4672863

SCHEMBL4672863

O=C(c1ccncc1)C1CC[N]CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 1/20 0.40
MGLL Q99685 1/20 0.40
LMNA P02545 1/20 0.40
SRD5A2 P31213 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL6494263 0.88 KDM4E (0.58) KDM4EPOLBGAAHTR2AHTR2C
SCHEMBL28957256 0.84 POLB (0.55) KDM4EPOLBGAAHTR2AHTR2C
SCHEMBL11638730 0.82 SRD5A2 (0.58) KDM4EPOLBGAAHTR2AHTR2C
SCHEMBL654047 0.82 HTR2A (0.49) HTR2AALDH1A1MEN1KMT2AHSD11B1
SCHEMBL4670951 0.79 KMT2A (0.62) POLBALDH1A1MEN1KMT2AHSD11B1
SCHEMBL2297101 0.79 MGLL (0.58) MEN1KMT2AHSD11B1MGLLLMNA
SCHEMBL4673866 0.79 MGLL (0.51) KDM4EPOLBHTR2AHTR2CHTR2B
SCHEMBL4671500 0.79 HSD11B1 (0.58) KDM4EPOLBGAAHTR2AHTR2C
SCHEMBL4672867 0.79 MEN1 (0.62) KDM4EPOLBGAAHTR2AHTR2C
SCHEMBL4670997 0.79 HSD11B1 (0.56) POLBGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed