SCHEMBL5604200

SCHEMBL5604200

Cc1ccc(C2CCCC3=C2[N]c2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BCHE P06276 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
PRCP P42785 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL5602761 0.88 IGF1R (0.38) CYP19A1
SCHEMBL5601420 0.82 BCHE (0.33) BCHELMNA
SCHEMBL5603283 0.81 DDB1 (0.40) ALDH1A1TNKS2
SCHEMBL5603963 0.76 HRH3 (0.35) HPGD
SCHEMBL5601110 0.72 ACHE (0.30)
SCHEMBL5603153 0.72 NR1I2 (0.30)
SCHEMBL5603618 0.72 NOS1 (0.32)
SCHEMBL5600266 0.71 ACE (0.33) ALDH1A1
SCHEMBL5602459 0.71 NOS2 (0.35) MAPTLMNAHPGD
SCHEMBL5603391 0.71 NOS2 (0.35) MAPTLMNAHPGD

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