SCHEMBL5601846

SCHEMBL5601846

CC1=C(c2ccc(C)cc2)[N]c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.37
RAB9A P51151 10/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
MAPT P10636 4/20 0.37
PKM P14618 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 3/20 0.36
MAPK1 P28482 2/20 0.36
HPGDS O60760 1/20 0.36
TSHR P16473 1/20 0.36
AGTR1 P30556 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 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
SCHEMBL5601902 0.88 IDO1 (0.37) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3876013 0.72 MEN1 (0.40) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL5603935 0.72 NPC1 (0.37) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL1091995 0.70 HSD11B1 (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8036362 0.69 LMNA (0.50) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL12912969 0.68 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL12912867 0.68 IDO1 (0.50) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL2962416 0.65 ELANE (0.47) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL3871108 0.65 ELANE (0.47) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL5602494 0.65 NPC1 (0.37) NPC1RAB9ASMN1; SMN2MAPTPKM

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