SCHEMBL6270882

SCHEMBL6270882

Brc1[c]c2ncccc2cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
CYP3A4 P08684 3/20 0.43
HTT P42858 2/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
MMP2 P08253 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP2D6 P10635 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 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
SCHEMBL9381631 0.75 LMNA (0.43) LMNACYP3A4HTTCCR1CCR5
SCHEMBL1954252 0.75 CCR1 (0.43) LMNACYP3A4HTTCCR1CCR5
SCHEMBL3947560 0.72 CCR1 (0.36) LMNACYP3A4HTTCCR1CCR5
SCHEMBL747234 0.71 PDGFRB (0.41) LMNACYP3A4HTTCCR1CCR5
SCHEMBL22116639 0.68 KDM4E (0.36) LMNACYP3A4HTTCCR1CCR5
SCHEMBL4470663 0.68 PDE10A (0.45) LMNACYP3A4HTTCCR1CCR5
SCHEMBL7950881 0.68 KDM4E (0.41) LMNACYP3A4HTTCCR1CCR5
SCHEMBL22116784 0.68
SCHEMBL11212949 0.68 KDM4E (0.44) LMNACYP3A4HTTCCR1CCR5
SCHEMBL22116434 0.67 MEN1 (0.38) LMNACYP3A4HTTCCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005103683-A1 QUANTITATIVE METHOD OF DETERMINING BERYLLIUM OR A COMPOUND THEREOF IN A SAMPLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-03 WO disclosed