SCHEMBL4870263

SCHEMBL4870263

C=Cc1ccc(CN2CCN(Cc3ccc(C=C)cc3)CCN(Cc3ccc(C=C)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
SIGMAR1 Q99720 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.47
DRD4 P21917 1/20 0.47
POLB P06746 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
KDM4E B2RXH2 1/20 0.45
CXCR4 P61073 1/20 0.44
MC4R P32245 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL18503098 1.00 HRH3 (0.52) HRH3SIGMAR1L3MBTL1MAPK1ALDH1A1
SCHEMBL608338 1.00 HRH3 (0.52) HRH3SIGMAR1L3MBTL1MAPK1ALDH1A1
SCHEMBL12531233 1.00 HRH3 (0.52) HRH3SIGMAR1L3MBTL1MAPK1ALDH1A1
SCHEMBL608837 0.92 HRH3 (0.65) HRH3L3MBTL1ALDH1A1POLBHRH4
SCHEMBL18753904 0.91 LMNA (0.61) HRH3L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL818383 0.90 HRH3 (0.69) HRH3L3MBTL1ALDH1A1POLBHRH4
SCHEMBL611503 0.90 HRH3 (0.69) HRH3L3MBTL1ALDH1A1POLBHRH4
SCHEMBL7744895 0.89 SIGMAR1 (0.58) HRH3SIGMAR1CXCR4MEN1KMT2A
Hydrochloric Acid SCHEMBL28437066 0.88 HRH3 (0.67) HRH3L3MBTL1ALDH1A1POLBHRH4
Butadiene SCHEMBL28849455 0.88 HRH3 (0.67) HRH3L3MBTL1ALDH1A1POLBHRH4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348169-B1 Method of making bioactive catalytic material THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-03-25 US disclosed
US-7067294-B2 Catalytic surfaces for active protection from toxins THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2006-06-27 US disclosed
US-20050136522-A1 Catalytic surfaces for active protection from toxins NAVY, UNITED STATES OF AMERICA, AS REPRESENTED BY, THE SECRETARY OF THE 2005-06-23 US disclosed
US-6063637-A SENSING MATERIAL OF METAL COMPLEXES HAVING AT LEAST TWO COORDINATION SITES FOR BINDING TARGET AND A DETECTOR FOR MEASURING THE PROTONS OR HYDROXIDE IONS RELEASED FROM THE SENSING MATERIAL WHEN ANALYTE IS BOUND CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-05-16 US disclosed
WO-1997005489-A1 SOLUBLE AND POLYMERIC METAL COMPLEXING MATERIALS FOR MEASUREMENT OF SUGARS AND RELATED MOLECULES IN SOLUTION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-02-13 WO disclosed