SCHEMBL10697491

SCHEMBL10697491

CCOC(=O)CSc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PRNP P04156 1/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 3/20 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
SCHEMBL10884613 0.80 MAPT (0.60) MAPTALDH1A1SMN1; SMN2
SCHEMBL4187236 0.78 MAPT (0.51) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL1492578 0.78 KDM4E (0.55) MAPTLMNAPOLBRXFP1ALDH1A1
SCHEMBL14444533 0.78 MAPT (0.52) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL6255747 0.77 MAPT (0.50) MAPTLMNAPOLBALDH1A1KDM4E
SCHEMBL3928261 0.76 MAPT (0.50) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL9058875 0.76 KDM4E (0.54) MAPTLMNAPOLBRXFP1ALDH1A1
SCHEMBL10695516 0.76 CXCR1 (0.53) MAPTPOLBRXFP1ALDH1A1KDM4E
SCHEMBL31275741 0.75 MAPT (0.60) MAPTLMNAPOLBALDH1A1KDM4E
SCHEMBL5802564 0.75 MAPT (0.62) MAPTLMNAALDH1A1KDM4EKMT2A

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
CN-111808003-A Preparation method of thioether 甘肃农业大学 2020-10-23 CN disclosed
EP-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed