SCHEMBL5603958

SCHEMBL5603958

c1ccc(C2CCC3=C2c2ccccc2[N]3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
KDR P35968 1/20 0.38
CDK8 P49336 1/20 0.38
CDK9 P50750 1/20 0.38
ROCK1 Q13464 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CYP19A1 P11511 2/20 0.36
HCAR2 Q8TDS4 1/20 0.34
CTRB1 P17538 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5602313 0.78 DDB1 (0.43) DDB1CRBNALDH1A1L3MBTL1
SCHEMBL5604114 0.77 NOS3 (0.32) NOS1NOS2
SCHEMBL5601216 0.76 MAPT (0.31) MAPTHPGDNOS2
SCHEMBL5604270 0.74 CYP19A1 (0.43) DDB1CRBNCYP19A1ALDH1A1LMNA
SCHEMBL5602729 0.73 MAPT (0.36) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL5612680 0.73 CYP19A1 (0.30) CYP19A1
SCHEMBL5601130 0.73 MAPT (0.39) ALDH1A1LMNAMAPTMEN1HPGD
SCHEMBL5600361 0.72 MAPT (0.38) ALDH1A1LMNAMAPTMEN1HPGD
SCHEMBL5600340 0.72 MAPT (0.38) ALDH1A1LMNAMAPTMEN1HPGD
SCHEMBL5602448 0.72 MAPT (0.38) ALDH1A1LMNAMAPTMEN1HPGD

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