SCHEMBL4007155

SCHEMBL4007155

Brc1cccnc1Oc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
TRPA1 O75762 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIN1 Q13526 1/20 0.43
KDM1A O60341 1/20 0.41

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
SCHEMBL1884690 0.85 TRPA1 (0.48) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL4008456 0.78 HTR1A (0.51) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17913749 0.77 HTR1B (0.44) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30803798 0.77 HTR1B (0.44) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3878940 0.76 PDE10A (0.43) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2784042 0.76 NR4A1 (0.51) LMNAMAPTKDM4EHPGDMEN1
SCHEMBL6213751 0.75 ALDH1A1 (0.50) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL4007377 0.75 HPGD (0.49) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4008138 0.74 HTR1A (0.54) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4009870 0.74 HTR1A (0.54) LMNASMN1; SMN2NPC1RAB9AMAPT

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
WO-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 WO disclosed
WO-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 WO disclosed