SCHEMBL6946370

SCHEMBL6946370

O=C(NN1CCCCC1)c1cccc(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 2/20 0.54
EGLN2 Q96KS0 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PARP1 P09874 1/20 0.47
PKM P14618 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL4612423 0.90 HTT (0.77) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9282775 0.81 HTT (1.00) HTTNPC1RAB9ASMN1; SMN2LMNA
N-Piperidinobenzamide SCHEMBL696161 0.81 HTT (1.00) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL279859 0.81 HTT (0.63) HTTNPC1RAB9ASMN1; SMN2HDAC8
SCHEMBL7698519 0.81 HTT (0.63) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL271900 0.80 HTT (0.62) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2399935 0.79 HTT (0.96) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4041565 0.78 HTT (0.59) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7697402 0.77 HTT (0.58) HTTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7698185 0.77 HTT (0.58) HTTNPC1RAB9ASMN1; SMN2LMNA

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-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
US-6562832-B1 Cytokine suppressive anti-inflammatory drugs, capable of inhibiting the CSBP/p38/RK kinase SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
US-6046208-A TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, ENDOTOXEMIA AND/OR TOXIC SHOCK SYNDROME, OTHER ACUTE OR CHRONIC INFLAMMATORY DISEASE STATES SUCH AS THE INFLAMMATORY REACTION INDUCED BY ENDOTOXIN OR INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2000-04-04 US disclosed