SCHEMBL3086829

SCHEMBL3086829

Cc1cc(C=S)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MAPT P10636 2/20 0.65
RAB9A P51151 2/20 0.65
POLB P06746 1/20 0.65
CYP1A2 P05177 1/20 0.58
BACE1 P56817 1/20 0.55
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 2/20 0.45
ACHE P22303 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
ADRB1 P08588 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3085387 0.83 KDM4E (0.67) KDM4EL3MBTL1MAPTRAB9APOLB
SCHEMBL6456809 0.81 KDM4E (0.65) KDM4EL3MBTL1MAPTRAB9APOLB
SCHEMBL12408803 0.80 KDM4E (0.73) KDM4EL3MBTL1MAPTRAB9APOLB
SCHEMBL7967307 0.79 KDM4E (0.61) KDM4EL3MBTL1MAPTRAB9APOLB
SCHEMBL4810314 0.79 KDM4E (1.00) KDM4EL3MBTL1MAPTRAB9APOLB
SCHEMBL14279421 0.79 KDM4E (1.00) KDM4EL3MBTL1MAPTRAB9APOLB
SCHEMBL3081534 0.75 CYP1A2 (0.64) KDM4EL3MBTL1MAPTRAB9APOLB
SCHEMBL1088580 0.74 CYP1A2 (0.69) KDM4EL3MBTL1MAPTRAB9APOLB
SCHEMBL29502790 0.74 CYP1A2 (1.00) KDM4EL3MBTL1MAPTRAB9APOLB
SCHEMBL89010 0.74 CYP1A2 (1.00) KDM4EL3MBTL1MAPTRAB9APOLB

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
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed