SCHEMBL11069758

SCHEMBL11069758

CCCCOCCOC(=O)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
ESR1 P03372 1/20 0.43
CACNA1F O60840 2/20 0.42
CACNA1D Q01668 2/20 0.42
CACNA1S Q13698 2/20 0.42
CACNA1C Q13936 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL11320295 1.00 ALDH1A1 (0.51) ALDH1A1HSD17B10TDP1POLBKDM4E
SCHEMBL11507269 0.92 ALDH1A1 (0.59) ALDH1A1HSD17B10TDP1POLBKDM4E
SCHEMBL11140575 0.90 SMN1; SMN2 (0.48) ALDH1A1TDP1POLBRAB9ASMN1; SMN2
SCHEMBL22773398 0.88 ALDH1A1 (0.61) ALDH1A1HSD17B10TDP1POLBKDM4E
SCHEMBL11136289 0.88 ALDH1A1 (0.61) ALDH1A1HSD17B10TDP1POLBKDM4E
SCHEMBL11222403 0.88 RAB9A (0.47) ALDH1A1TDP1POLBRAB9ASMN1; SMN2
SCHEMBL11779730 0.87 RAB9A (0.56) ALDH1A1HSD17B10TDP1POLBRAB9A
SCHEMBL11066543 0.83 RAB9A (0.50) ALDH1A1TDP1POLBRAB9ASMN1; SMN2
SCHEMBL11655623 0.83 TSHR (0.50) ALDH1A1TDP1POLBRAB9ASMN1; SMN2
SCHEMBL7734041 0.82 TDP1 (0.58) ALDH1A1HSD17B10TDP1SMN1; SMN2TSHR

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
US-4483795-A Substituted phenyl disazo dyes containing a 2-amino-substituted thiazole radical BASF AKTIENGESELLSCHAFT (DE) 1984-11-20 US disclosed
US-4372885-A Bisazo dyes containing a 2-amino-substituted thiazole radical BASF AKTIENGESELLSCHAFT (DE) 1983-02-08 US disclosed