SCHEMBL5601488

SCHEMBL5601488

CCc1cccc2c1[N]c1ccccc1O2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
HTT P42858 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NSD2 O96028 1/20 0.33
CASP6 P55212 1/20 0.33
GFER P55789 1/20 0.33
USP2 O75604 1/20 0.33
P2RX4 Q99571 1/20 0.32

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
SCHEMBL5602471 0.86 MAOA (0.36) MAOAHTTTRPA1CYP1A2CYP2D6
SCHEMBL5601859 0.83 LIPG (0.36) MAOATRPA1CYP2D6KMT2A
SCHEMBL5601327 0.82 LIPG (0.41)
SCHEMBL5600589 0.81 EGFR (0.35) MEN1KMT2A
SCHEMBL5602034 0.81 MAOA (0.36) MAOAHTTTRPA1CYP1A2CYP2D6
SCHEMBL5603739 0.81 LIPG (0.44)
SCHEMBL5600669 0.81 LIPG (0.44)
SCHEMBL5601382 0.81 LIPG (0.44)
SCHEMBL5603403 0.81 LIPG (0.44)
SCHEMBL5603162 0.81 LIPG (0.44)

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed