SCHEMBL4069506

SCHEMBL4069506

CN(c1ccc(NC(=O)c2ccccc2Cl)cn1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 1/20 0.54
PTBP1 P26599 1/20 0.54
S1PR1 P21453 4/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GRM4 Q14833 2/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
CYP11B2 P19099 1/20 0.47
HSD11B1 P28845 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL4063941 0.88 S1PR1 (0.51) SMN1; SMN2LMNAS1PR1HPGDRAB9A
SCHEMBL4068903 0.88 NPC1 (0.51) SMN1; SMN2GAAS1PR1HPGDMEN1
SCHEMBL4072949 0.80 S1PR1 (0.49) LMNATP53S1PR1HPGDTRPV1
SCHEMBL4060466 0.76 SMN1; SMN2 (0.56) SMN1; SMN2LMNATSHRTP53GAA
SCHEMBL10075394 0.76 JAK2 (0.66)
SCHEMBL845817 0.74 TRPV1 (0.74) SMN1; SMN2TP53RAB9ANPC1TRPV1
SCHEMBL846037 0.73 TRPV1 (0.80) SMN1; SMN2RAB9ANPC1ALDH1A1TRPV1
SCHEMBL27544662 0.72 GRM4 (0.62) SMN1; SMN2LMNATSHRTP53GAA
SCHEMBL27889255 0.71 SMN1; SMN2 (0.58) SMN1; SMN2LMNATSHRTP53GAA
SCHEMBL27905928 0.71 SMN1; SMN2 (0.58) SMN1; SMN2LMNATSHRTP53GAA

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-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed