SCHEMBL6203260

SCHEMBL6203260

O=C(CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
THRB P10828 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HPGD P15428 3/20 0.55
RAB9A P51151 3/20 0.54
TMEM97 Q5BJF2 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 1/20 0.53
FLT1 P17948 1/20 0.52

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
SCHEMBL23014338 0.86 RAB9A (0.52) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14597973 0.84 NPC1 (0.58) POLBMAPTCYP1A2HPGDRAB9A
SCHEMBL11380224 0.83 POLB (0.64) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL9009113 0.82 MEN1 (0.56) POLBMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL8858800 0.80 KMT2A (0.61) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23014171 0.80 CYP1A2 (0.53) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL23014479 0.80 KMT2A (0.73) L3MBTL1MAPTCYP1A2CYP2C9RAB9A
SCHEMBL5031842 0.79 KDM4E (0.68) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL11472681 0.79 ERCC5 (0.62) TDP1MAPTKDM4EHPGDRAB9A
SCHEMBL23014498 0.78 GPR139 (0.58) TDP1MAPTKDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed