SCHEMBL5601692

SCHEMBL5601692

c1ccc(CC2CCCC3=C2[N]c2ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
CYP19A1 P11511 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GBA1 P04062 1/20 0.35
GRIN2B Q13224 1/20 0.35
MAOB P27338 1/20 0.35
HTR1A P08908 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL5601110 0.82 ACHE (0.30)
SCHEMBL5603094 0.81 CYP26A1 (0.37) MEN1KMT2A
SCHEMBL5601404 0.80 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL5602594 0.78 NOS1 (0.33) NOS1NOS2SIGMAR1
SCHEMBL5602312 0.77 BCHE (0.32) SIGMAR1
SCHEMBL5603472 0.76 SIGMAR1 (0.32) SIGMAR1MAPT
SCHEMBL5601676 0.76 SIGMAR1 (0.32) SIGMAR1MAPT
SCHEMBL5602585 0.76 SIGMAR1 (0.32) SIGMAR1MAPT
SCHEMBL5602622 0.76 SIGMAR1 (0.32) SIGMAR1MAPT
SCHEMBL5603394 0.76 SIGMAR1 (0.32) SIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed