SCHEMBL5601388

SCHEMBL5601388

Cc1cccc2c1C(Cc1ccccc1)=N[N]2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LTB4R Q15722 1/20 0.37
AOC3 Q16853 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
SCN4A P35499 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CALM1 P0DP23 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
SLC22A2 O15244 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL5603761 0.79 ALDH1A1 (0.33) SCN4ATSHR
SCHEMBL5600946 0.76 NOS2 (0.33) SCN4ATSHR
SCHEMBL5601247 0.71 KCNH2 (0.42)
SCHEMBL5601849 0.71 KCNH2 (0.42)
SCHEMBL5599722 0.71 KCNH2 (0.42)
SCHEMBL5602939 0.70 RXRA (0.35) SMN1; SMN2NPC1HPGDRAB9ATSHR
SCHEMBL5602222 0.70 CYP1A2 (0.35) SCN4ATSHR
SCHEMBL3094629 0.68 C3AR1 (0.37) SMN1; SMN2NPC1HPGDRAB9ATSHR
SCHEMBL3725692 0.67 ALDH1A1 (0.52) BCL2BCL2L1TSHR
SCHEMBL30171004 0.67 ALDH1A1 (0.52) BCL2BCL2L1TSHR

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