SCHEMBL5601637

SCHEMBL5601637

CC1=c2ccccc2=C(C2CCCCCCCCC2)[N]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.34
CYP19A1 P11511 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CASP3 P42574 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
NPY5R Q15761 1/20 0.32
PSMB5 P28074 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5600506 1.00 CYP11B2 (0.34) CYP11B2CYP19A1NPC1RAB9ACASP3
SCHEMBL5603175 1.00 CYP11B2 (0.34) CYP11B2CYP19A1NPC1RAB9ACASP3
SCHEMBL5602802 1.00 CYP11B2 (0.34) CYP11B2CYP19A1NPC1RAB9ACASP3
SCHEMBL5599969 1.00 CYP11B2 (0.34) CYP11B2CYP19A1NPC1RAB9ACASP3
SCHEMBL5603550 1.00 CYP11B2 (0.34) CYP11B2CYP19A1NPC1RAB9ACASP3
SCHEMBL5603243 1.00 CYP11B2 (0.34) CYP11B2CYP19A1NPC1RAB9ACASP3
SCHEMBL5602901 0.98 CYP11B2 (0.32) CYP11B2CYP19A1NPC1RAB9ACASP3
SCHEMBL5601121 0.94
SCHEMBL5601888 0.90
SCHEMBL5602436 0.70 ACHE (0.39) ALDH1A1L3MBTL1

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