SCHEMBL8181735

SCHEMBL8181735

O=C(O)CN1C(=O)SC(=CC=Cc2ccc(-c3ccccc3)cc2)C1=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 5/20 0.73
▸ MAPT P10636 7/20 0.67
▸ MEN1 O00255 5/20 0.67
▸ KMT2A Q03164 5/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ MMP1 P03956 1/20 0.64
▸ MMP2 P08253 1/20 0.64
▸ MMP13 P45452 1/20 0.64
▸ MMP14 P50281 1/20 0.64
▸ HTT P42858 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ POLB P06746 2/20 0.59
▸ RECQL P46063 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ LMNA P02545 1/20 0.57
▸ THRB P10828 1/20 0.55

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
SCHEMBL1421345 0.85 AKR1B1 (1.00) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL1421348 0.85 AKR1B1 (1.00) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL1421349 0.85 AKR1B1 (1.00) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL8183010 0.84 MEN1 (0.76) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL11936898 0.83 AKR1B1 (0.78) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL8181494 0.82 MAPT (0.64) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL10492259 0.80 MAPT (1.00) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL1315178 0.80 MAPT (1.00) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL6886335 0.79 MAPT (0.68) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL8733003 0.79 MAPT (0.65) AKR1B1MAPTMEN1KMT2AALDH1A1

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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — WO disclosed
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