SCHEMBL5601772

SCHEMBL5601772

Cc1ccccc1C1=Nc2ccccc2[N]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GAA P10253 2/20 0.36
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL4161788 0.77 KDM4E (0.35) GAAKDM4E
SCHEMBL5600526 0.71 NPC1 (0.46) NPC1RAB9ASMN1; SMN2GAATSHR
SCHEMBL1168920 0.69 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2GAAIDO1
SCHEMBL7677308 0.68 NPC1 (0.42) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL197690 0.68 ACHE (0.64) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL30354037 0.68 ACHE (0.64) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL30169568 0.68 ACHE (0.64) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL14455164 0.67 MAPK1 (0.44) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL211308 0.67 KDM4E (0.38) NPC1RAB9ASMN1; SMN2GAATSHR
SCHEMBL5602257 0.67 NPC1 (0.41) NPC1RAB9ASMN1; SMN2CASP3SENP8

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