SCHEMBL27849366

SCHEMBL27849366

O=C(Oc1ccccc1)c1n[nH]cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
NSD2 O96028 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
BACE1 P56817 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL949763 0.82 SMN1; SMN2 (0.58) HPGDALOX15HSD17B10ALDH1A1L3MBTL1
SCHEMBL948199 0.81 KDM4E (0.50) ALDH1A1L3MBTL1TDP1MAPTKDM4E
SCHEMBL28048741 0.78 ALDH1A1 (0.54) HSD17B10ALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL9586577 0.78 KDM4E (0.51) HPGDALOX15HSD17B10ALDH1A1POLB
SCHEMBL954343 0.78 BCAT2 (0.47) HSD17B10ALDH1A1L3MBTL1TDP1POLB
SCHEMBL3383809 0.73 KDM4E (0.46) ALDH1A1L3MBTL1TDP1MAPTKDM4E
SCHEMBL15510700 0.73 KDM4E (0.40) HSD17B10ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL957616 0.73 CHRNB2 (0.53) ALOX15ALDH1A1L3MBTL1TDP1POLB
SCHEMBL28191526 0.72 MAPT (0.56) HPGDHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL10432295 0.71 ALDH1A1 (0.39) ALDH1A1L3MBTL1TDP1KDM4ESMN1; SMN2

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
CN-101146532-B Pharmaceutical compounds ASTEX THERAPEUTICS LTD 2012-05-09 CN disclosed