SCHEMBL4772718

SCHEMBL4772718

Cn1c(-c2ccc(Cl)cc2)nc2c(=O)[nH]c(CCCOc3ccccc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.46
MAPT P10636 6/20 0.45
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
PARP1 P09874 2/20 0.40
MCL1 Q07820 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4767403 0.87 MEN1 (0.44) MEN1KMT2ATP53PARP1
SCHEMBL4776971 0.80 MEN1 (0.46) MAPTMEN1KMT2APARP1GAA
SCHEMBL4775804 0.79 MEN1 (0.46) MAPTMEN1KMT2APARP1GAA
SCHEMBL4769038 0.76 MEN1 (0.44) MAPTMEN1KMT2APARP1GAA
SCHEMBL4772481 0.76 MEN1 (0.43) MAPTPOLBMEN1KMT2ATP53
SCHEMBL4767193 0.75 TUBB4A (0.43) MEN1KMT2APARP1
SCHEMBL4295752 0.75 MEN1 (0.42) MAPTMEN1KMT2APARP1GAA
SCHEMBL5769122 0.74 MEN1 (0.56) RXFP1MAPTPOLBL3MBTL1MEN1
SCHEMBL4772661 0.74 ALDH1A1 (0.44) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL4776947 0.73 RNASEH1 (0.49) MEN1KMT2A

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
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO disclosed