SCHEMBL8208084

SCHEMBL8208084

O=C(O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.69
KMT2A Q03164 1/20 0.69
AKR1B1 P15121 6/20 0.62
CA9 Q16790 2/20 0.61
MAPK1 P28482 1/20 0.58
CFTR P13569 1/20 0.57

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
SCHEMBL8208103 1.00 MITF (0.69) MITFKMT2AAKR1B1CA9MAPK1
SCHEMBL1904245 0.89 MAPK1 (0.71) KMT2AAKR1B1MAPK1
SCHEMBL1904243 0.89 MAPK1 (0.71) KMT2AAKR1B1MAPK1
SCHEMBL1904246 0.89 MAPK1 (0.71) KMT2AAKR1B1MAPK1
SCHEMBL15828869 0.83 KMT2A (0.79) MITFKMT2AMAPK1CFTR
SCHEMBL15831457 0.82 KMT2A (0.98) MITFKMT2ACA9MAPK1CFTR
SCHEMBL15702367 0.82 KMT2A (0.67) MITFKMT2A
SCHEMBL6886476 0.80 MAPK1 (0.75) MITFKMT2AMAPK1
SCHEMBL6886480 0.80 MAPK1 (0.75) MITFKMT2AMAPK1
SCHEMBL8172926 0.79 AKR1B1 (0.69) AKR1B1CA9

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