SCHEMBL4785233

SCHEMBL4785233

O=c1[nH]c(-c2ccccc2)cn1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.69
CA1 P00915 3/20 0.69
CA2 P00918 3/20 0.69
CA9 Q16790 3/20 0.69
RAB9A P51151 6/20 0.62
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TNKS O95271 1/20 0.54
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL16456378 0.88 RAB9A (0.66) CA12CA1CA2CA9RAB9A
SCHEMBL16455934 0.84 CA12 (0.60) CA12CA1CA2CA9RAB9A
SCHEMBL16456381 0.84 CA12 (0.60) CA12CA1CA2CA9RAB9A
SCHEMBL76640 0.84 ALDH1A1 (0.57) CA12CA1CA2CA9RAB9A
SCHEMBL14769661 0.82 RAB9A (0.67) CA12CA1CA2CA9RAB9A
SCHEMBL8406497 0.78 ERCC1 (0.52) CA12CA1CA2CA9RAB9A
SCHEMBL7805547 0.78 CA12 (0.54) CA12CA1CA2CA9RAB9A
SCHEMBL4737060 0.77 RAB9A (1.00) CA12CA1CA2CA9RAB9A
SCHEMBL25585976 0.77 RAB9A (0.68) CA12CA1CA2CA9RAB9A
SCHEMBL13806371 0.74 CA12 (0.50) CA12CA1CA2CA9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO claimed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed