SCHEMBL13667447

SCHEMBL13667447

NC(=O)O[C@@H](Cn1cnnn1)c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 5/20 0.36
CTDSP1 Q9GZU7 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HMOX1 P09601 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL13667446 1.00 MEN1 (0.37) MEN1KMT2AMAPK1POLBCTDSP1
SCHEMBL13667365 0.86 AVPR2 (0.40) MEN1KMT2AMAPK1POLBCTDSP1
SCHEMBL4310318 0.86 AVPR2 (0.40) MEN1KMT2AMAPK1POLBCTDSP1
SCHEMBL13667364 0.86 AVPR2 (0.40) MEN1KMT2AMAPK1POLBCTDSP1
SCHEMBL4310568 0.82 CYP19A1 (0.46)
SCHEMBL4304627 0.81 HMOX1 (0.43) MEN1KMT2APKMHMOX1KDM4E
SCHEMBL13667426 0.81 MAPK1 (0.45) MEN1KMT2AMAPK1POLBKDM4E
SCHEMBL4313100 0.80 CYP2C9 (0.38) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL4313237 0.80 MAPK1 (0.39) MEN1KMT2AMAPK1POLBALDH1A1
SCHEMBL4304793 0.78 ALOX15 (0.39) MEN1KMT2AALDH1A1MAPTKDM4E

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
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed