SCHEMBL8733001

SCHEMBL8733001

O=C(O)CN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N/N=C\C=C\c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.65
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ AKR1B1 P15121 2/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ MMP1 P03956 1/20 0.54
▸ MMP2 P08253 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ MMP14 P50281 1/20 0.54
▸ HTT P42858 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 2/20 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
SCHEMBL8733003 1.00 MAPT (0.65) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL8733295 0.88 MAPT (0.56) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL8733294 0.88 MAPT (0.56) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL8729720 0.87 MMP1 (0.70) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL8729717 0.87 MMP1 (0.70) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL8727675 0.86 MMP1 (0.64) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL8727681 0.86 MMP1 (0.64) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL8181735 0.79 AKR1B1 (0.73) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL10492259 0.79 MAPT (1.00) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL1315178 0.79 MAPT (1.00) MAPTMEN1KMT2AALDH1A1AKR1B1

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
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 — — WO disclosed
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