SCHEMBL6498573

SCHEMBL6498573

O=C(Nc1cc[c]c(Cl)c1Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KCNMA1 Q12791 1/20 0.49
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 2/20 0.47
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PABPC1 P11940 1/20 0.46
CCR6 P51684 1/20 0.46

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
SCHEMBL3790102 0.79 NPC1 (0.68) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL11099300 0.78 PTPN1 (0.52) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL9621459 0.75 MEN1 (0.82) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL11279358 0.74 NPC1 (0.57) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL1110180 0.72 MDM4 (0.73) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL24389088 0.72 TP53 (0.72) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL4094232 0.72 HDAC1 (0.72) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL29604506 0.72 TP53 (0.72) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL7305489 0.72 HPGD (0.72) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL3794850 0.72 NPC1 (0.74) MEN1KMT2AHPGDMAPTNPC1

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed