SCHEMBL3434515

SCHEMBL3434515

COc1ccc(CC(=O)C2=[C]N(C)N(c3ccccc3Cl)C2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
BCL2A1 Q16548 1/20 0.38
LMNA P02545 1/20 0.38
KCNQ2 O43526 1/20 0.38
CNR2 P34972 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL2355739 0.76 USP2 (0.42) USP2TP53ALDH1A1MEN1POLB
SCHEMBL1847760 0.70 USP2 (0.70) USP2TP53ALDH1A1MEN1POLB
SCHEMBL3434512 0.69 USP2 (0.45) USP2TP53ALDH1A1MEN1POLB
SCHEMBL2355747 0.69 USP2 (0.43) USP2TP53ALDH1A1MEN1POLB
SCHEMBL4748426 0.65 USP2 (0.62) USP2TP53ALDH1A1MEN1KMT2A
SCHEMBL2215939 0.65 USP2 (0.46) USP2TP53ALDH1A1MEN1POLB
SCHEMBL571063 0.63 USP2 (0.69) USP2TP53ALDH1A1POLBKMT2A
SCHEMBL7798234 0.62 SMN1; SMN2 (0.57) USP2TP53ALDH1A1POLBSMN1; SMN2
SCHEMBL4779632 0.62 SMN1; SMN2 (0.62) USP2TP53ALDH1A1MEN1KMT2A
SCHEMBL457954 0.61 NPC1 (0.73) USP2TP53ALDH1A1MEN1KMT2A

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-2010035219-A2 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2010-04-01 WO disclosed