SCHEMBL12893405

SCHEMBL12893405

Brc1ccnc(-c2cccc(-c3cc(Br)ccn3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.52
CCR8 P51685 6/20 0.52
CCR5 P51681 5/20 0.52
KDM4E B2RXH2 5/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TP53 P04637 1/20 0.52
ALPL P05186 1/20 0.52
HSP90AA1 P07900 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GRM5 P41594 2/20 0.43
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8814176 0.92 KDM4E (0.67) CCR1CCR8CCR5KDM4EHTT
SCHEMBL833371 0.86 KDM4E (0.48) CCR1CCR8CCR5KDM4EHTT
SCHEMBL30362730 0.84 KDM4E (0.46) CCR1CCR8CCR5KDM4EHTT
SCHEMBL308538 0.83 KDM4E (0.61) CCR1CCR8CCR5KDM4EHTT
SCHEMBL1925061 0.77 IDO1 (0.50) SMN1; SMN2TP53ALOX15GRM5CYP1A2
SCHEMBL15624379 0.74 CCR1 (0.52) CCR1CCR8CCR5KDM4EHTT
SCHEMBL30046929 0.74 CCR1 (0.64) CCR1CCR8CCR5KDM4EHTT
SCHEMBL2138914 0.74 CCR1 (0.64) CCR1CCR8CCR5KDM4EHTT
SCHEMBL4803 0.74 ASIC3 (0.59) KDM4ESMN1; SMN2LMNAHSP90AA1L3MBTL1
SCHEMBL31645963 0.74 ASIC3 (0.59) KDM4ESMN1; SMN2LMNAHSP90AA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224624-A1 PROTON EXCHANGE MEMBRANES RENO (US) 2013-08-29 US disclosed
US-20130224624-A1 PROTON EXCHANGE MEMBRANES RENO (US) 2013-08-29 US disclosed
US-20110033776-A1 PROTON EXCHANGE MEMBRANES Board of regents of the Nevada System of Higher Education, on Behalf of the University of 2011-02-10 US disclosed
US-20110033776-A1 PROTON EXCHANGE MEMBRANES Board of regents of the Nevada System of Higher Education, on Behalf of the University of 2011-02-10 US disclosed