SCHEMBL31169728

SCHEMBL31169728

O=c1cc(Cl)c2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
CTSV O60911 2/20 0.55
CTSL P07711 2/20 0.55
PARP1 P09874 2/20 0.55
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
NPC1 O15118 1/20 0.51
HSP90AA1 P07900 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL20183771 1.00 CA12 (0.58) CA12CA9CTSVCTSLPARP1
SCHEMBL3604526 0.87 PARP1 (0.58) CA12CA9CTSVCTSLPARP1
SCHEMBL30349881 0.82 MAPT (0.61) CA12CA9CTSVCTSLPARP1
SCHEMBL31081636 0.81 CA12 (0.58) CA12CA9CTSVCTSLPARP1
SCHEMBL4469615 0.81 CA12 (0.58) CA12CA9CTSVCTSLPARP1
SCHEMBL29540314 0.79 GABRA1 (0.70) CA12CA9CTSVCTSLPARP1
SCHEMBL155013 0.79 GABRA1 (0.70) CA12CA9CTSVCTSLPARP1
SCHEMBL8366377 0.78 CA12 (0.51) CA12CA9CTSVCTSLPARP1
SCHEMBL31254142 0.77 CTSV (0.60) CA12CA9CTSVCTSLPARP1
SCHEMBL28982709 0.77 ALDH1A1 (0.59) CA12CA9CTSVCTSLPARP1

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
CN-112334475-B BCL6 inhibitors 癌症研究技术有限公司 2024-10-29 CN disclosed