SCHEMBL8501798

SCHEMBL8501798

ClCCCCc1ncc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GPR3 P46089 1/20 0.37
EGFR P00533 1/20 0.37
PDE10A Q9Y233 3/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.34
TLR8 Q9NR97 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
NR4A1 P22736 1/20 0.34
SLC9A1 P19634 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33

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
SCHEMBL28605200 0.84 HRH1 (0.42) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL30336491 0.84 TLR8 (0.50) TLR8
SCHEMBL4557233 0.84 TLR8 (0.50) TLR8
SCHEMBL27991341 0.83 TLR8 (0.49) TLR8
SCHEMBL3021084 0.83 KDM4E (0.35) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL6001793 0.83 JAK2 (0.38) KDM4EGPR3EGFRPDE10AKMT2A
SCHEMBL7548524 0.82 KDM4E (0.37) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL7069013 0.82 TLR8 (0.49) KDM4EALDH1A1MAPTHPGDTLR8
SCHEMBL7074398 0.82 KDM4E (0.37) KDM4EGPR3EGFRPDE10AKMT2A
SCHEMBL874900 0.81 KMT2A (0.44) KDM4EGPR3EGFRPDE10AKMT2A

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-6004979-A ANGIOTENSIN II INHIBITORS; 4-((CARBOXY)ARYLOXY)-QUINOLINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
US-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed
CN-1063869-A New nitrogenous bicyclic derivatives, its preparation method, the new intermediate that obtains thus, its pharmaceutical use and the pharmaceutical composition that contains this class material ROUSSEL UCLAF (FR) 1992-08-26 CN disclosed