SCHEMBL5602684

SCHEMBL5602684

CCC1=C(C)c2ccccc2[N]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAP2K7 O14733 1/20 0.32
S100A4 P26447 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
HEXA P06865 1/20 0.31
HEXB P07686 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
SCHEMBL5601003 0.81 HSD11B1 (0.35) ALDH1A1
SCHEMBL5603679 0.80 GCGR (0.38) L3MBTL1
SCHEMBL5603015 0.79 FGFR1 (0.33) TP53
SCHEMBL5602984 0.79 CALM1 (0.39) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL5602833 0.78 KCNH2 (0.41)
SCHEMBL5601431 0.78 KCNH2 (0.41)
SCHEMBL5600379 0.78 KCNH2 (0.41)
SCHEMBL5602347 0.78 KCNH2 (0.41)
SCHEMBL5601435 0.78 KCNH2 (0.41)
SCHEMBL1091995 0.73 HSD11B1 (0.34) SMN1; SMN2LMNANPC1ALDH1A1RAB9A

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