SCHEMBL5602939

SCHEMBL5602939

Cc1cccc2c1C(c1ccccc1)=N[N]2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
IDO1 P14902 1/20 0.34
FABP4 P15090 1/20 0.34
BRD4 O60885 2/20 0.33
AKT2 P31751 2/20 0.33
KMT2A Q03164 2/20 0.33
MYC P01106 1/20 0.33
TDO2 P48775 1/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 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
SCHEMBL5601473 0.87 RAB9A (0.34) KMT2AALDH1A1NPC1HPGDRAB9A
SCHEMBL5602222 0.74 CYP1A2 (0.35) MYCTSHRALDH1A1ACHEMAOA
SCHEMBL5601388 0.70 SMN1; SMN2 (0.38) KMT2ATSHRNPC1HPGDRAB9A
SCHEMBL4426820 0.70 TSHR (0.50) FABP4BRD4AKT2KMT2AMYC
SCHEMBL3629164 0.70 IDO1 (0.48) IDO1KMT2AALDH1A1NPC1HPGD
SCHEMBL30396794 0.68 TSHR (0.47) FABP4BRD4AKT2KMT2AMYC
SCHEMBL5603761 0.68 ALDH1A1 (0.33) TSHRALDH1A1MAOA
SCHEMBL5602932 0.67 NPC1 (0.41) IDO1TSHRALDH1A1NPC1HPGD
SCHEMBL5600658 0.67 PDK2 (0.33)
SCHEMBL28388638 0.66 TAAR1 (0.48) FABP4BRD4AKT2KMT2AMYC

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