SCHEMBL5601432

SCHEMBL5601432

CC1=c2ccccc2=C(c2ccccc2)[N]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
DRD2 P14416 1/20 0.33
AKT2 P31751 2/20 0.32
CHEK1 O14757 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKT1 P31749 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 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
SCHEMBL5603815 0.87 RAB9A (0.38) L3MBTL1HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL5602436 0.77 ACHE (0.39) L3MBTL1ALDH1A1LMNATSHRALOX12
SCHEMBL5603048 0.64 TP53 (0.33)
SCHEMBL7029427 0.63 TSHR (0.47) L3MBTL1HPGDALDH1A1NPC1RAB9A
Biphenyl SCHEMBL27383049 0.61 ALDH1A1 (0.75) HPGDSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL22624395 0.61 L3MBTL1 (0.34) L3MBTL1HPGDSMN1; SMN2KDM4EALDH1A1
Biphenyl SCHEMBL28097179 0.59 ALDH1A1 (0.69) L3MBTL1HPGDSMN1; SMN2ALDH1A1MAPK1
Biphenyl SCHEMBL653702 0.58 ALDH1A1 (0.82) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
SCHEMBL307860 0.57 ALDH1A1 (0.44) L3MBTL1HPGDALDH1A1NPC1RAB9A
SCHEMBL20597141 0.57 ALDH1A1 (0.44) L3MBTL1SMN1; SMN2KDM4EALDH1A1NPC1

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