SCHEMBL28812909

SCHEMBL28812909

Nc1cc(-c2csc(=O)[nH]2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.57
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 4/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL3973537 0.76 MAPT (0.69) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL16414817 0.75 BRD4 (0.59) BRD4ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL4578254 0.72 TDP1 (0.50) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL21145379 0.71 MAPT (0.50) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL29465715 0.70 KCNH2 (0.62) TDP1TSHRMAPTMEN1POLB
SCHEMBL1065088 0.70 KCNH2 (0.62) TDP1TSHRMAPTMEN1POLB
SCHEMBL1068671 0.70 MAPT (0.48) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL13737282 0.70 TSHR (0.47) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL13735401 0.69 MAPT (0.55) ALDH1A1TDP1TSHRSMN1; SMN2MAPT
SCHEMBL31570099 0.68 MAPT (0.58) ALDH1A1TDP1TSHRMAPTMEN1

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-103833671-A Dihydrothiazolone compound, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2014-06-04 CN disclosed