SCHEMBL2355747

SCHEMBL2355747

COc1ccc(CC(=O)C2=C(O)N(c3ccccc3Cl)N(C)C2OC(C)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
MET P08581 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
KCNQ2 O43526 1/20 0.36
CNR2 P34972 1/20 0.36
KDR P35968 1/20 0.36

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 0.73 USP2 (0.42) USP2TP53ALDH1A1MEN1KMT2A
SCHEMBL3434515 0.69 USP2 (0.44) USP2TP53ALDH1A1MEN1KMT2A
SCHEMBL1847760 0.68 USP2 (0.70) USP2TP53ALDH1A1MEN1KMT2A
SCHEMBL3434512 0.67 USP2 (0.45) USP2TP53ALDH1A1MEN1KMT2A
SCHEMBL2215939 0.65 USP2 (0.46) USP2TP53ALDH1A1MEN1KMT2A
SCHEMBL2355743 0.65 USP2 (0.42) USP2TP53ALDH1A1MEN1KMT2A
SCHEMBL4748426 0.64 USP2 (0.62) USP2TP53ALDH1A1MEN1KMT2A
SCHEMBL571063 0.62 USP2 (0.69) USP2TP53ALDH1A1KMT2APOLB
SCHEMBL7798234 0.61 SMN1; SMN2 (0.57) USP2TP53ALDH1A1POLBSMN1; SMN2
SCHEMBL4779632 0.61 SMN1; SMN2 (0.62) 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
EP-2349261-A2 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2011-08-03 EP disclosed