SCHEMBL10558243

SCHEMBL10558243

CC(c1ccc2c(c1)sc1ccccc12)[N+]([O-])([O-])C(=O)NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 0.40
MMP13 P45452 5/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
GPR3 P46089 1/20 0.35
CYP1A2 P05177 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
Hydroxyurea SCHEMBL10559837 0.74 MAPT (0.42) MMP12MMP13MAPTALDH1A1HPGD
SCHEMBL10559606 0.73 ALOX5 (0.41) MMP12MMP13MAPTALDH1A1HPGD
SCHEMBL6387827 0.73 ALOX5 (0.48) HDAC1HDAC8HDAC6CYP1A2HDAC3
SCHEMBL11248448 0.73 AKR1B1 (0.55) MMP12MMP13MAPTALDH1A1HPGD
SCHEMBL8610327 0.72 ALDH1A1 (0.50) MMP12MMP13MAPTALDH1A1HPGD
SCHEMBL13338346 0.71 GPR3 (0.54) MMP12MMP13MAPTALDH1A1HPGD
SCHEMBL9764874 0.70 MAPT (0.37) MMP12MMP13MAPTALDH1A1HPGD
SCHEMBL25721015 0.69 ALDH1A1 (0.50) MMP12MMP13MAPTALDH1A1HPGD
SCHEMBL10560605 0.69 ALOX5 (0.44) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL10593725 0.68 ALOX5 (0.43) MAPTALDH1A1HPGDRAB9ASMN1; SMN2

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
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed