SCHEMBL5317294

SCHEMBL5317294

Nc1ccc2c(c1)OC(C(=O)NNC(=O)O)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CASP6 P55212 1/20 0.40
GLS O94925 2/20 0.33
MAPT P10636 5/20 0.32
CYP2C19 P33261 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
THRB P10828 2/20 0.32
RECQL P46063 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL5315148 0.83 POLB (0.56) POLBCASP6MAPTCYP2C19KDM4E
SCHEMBL1168399 0.79 GAA (0.35) POLBCASP6KDM4EMEN1KMT2A
SCHEMBL1168607 0.76 POLB (0.39) POLBCASP6MAPTCYP2C19KDM4E
SCHEMBL1168265 0.74 GAA (0.40) POLBCASP6MAPTKDM4EALDH1A1
SCHEMBL12863056 0.68 CYP1A2 (0.41) POLBCASP6CYP2C19KDM4EKMT2A
SCHEMBL29606528 0.68 NR1H2 (0.37) POLBCASP6KDM4EALDH1A1GAA
SCHEMBL28611913 0.68 NR1H2 (0.37) POLBCASP6KDM4EALDH1A1GAA
SCHEMBL12863055 0.66 KMT2A (0.36) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL1292089 0.66 POLB (0.56) POLBCASP6MAPTALDH1A1GAA
SCHEMBL12863048 0.66 PTGS2 (0.37) POLBCASP6CYP2C19KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773835-B1 PYRIDO-PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF FOR TREATING CANCER SANOFI SA (FR) 2014-09-24 EP disclosed
CN-101124223-A Pyrido-pyrimidine derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2008-02-13 CN disclosed
EP-1773835-A2 PYRIDO-PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF FOR TREATING CANCER Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006016067-A2 PYRIDO-PYRIDO PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF FOR TREATING CANCER SANOFI-AVENTIS (FR) 2006-02-16 WO disclosed