SCHEMBL10692288

SCHEMBL10692288

CC(N)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP19A1 P11511 2/20 0.38
NT5E P21589 1/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
RIPK1 Q13546 1/20 0.36
GAA P10253 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL10694484 0.82 ALDH1A1 (0.44) POLBALDH1A1SMN1; SMN2NT5ELMNA
SCHEMBL10691575 0.82 RAPGEF4 (0.39) POLBALDH1A1NT5EMEN1KMT2A
SCHEMBL10693372 0.81 KAT2B (0.53) POLBALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL10359926 0.79 POLB (0.46) POLBALDH1A1SMN1; SMN2CYP19A1LMNA
SCHEMBL1717760 0.75 NT5E (0.47) POLBALDH1A1SMN1; SMN2CYP19A1NT5E
SCHEMBL10389498 0.75 CRHBP (0.44) POLBALDH1A1SMN1; SMN2CYP19A1LMNA
SCHEMBL10538157 0.73 ALDH1A1 (0.49) POLBALDH1A1SMN1; SMN2NT5EMEN1
SCHEMBL10691497 0.73 NT5E (0.57) POLBALDH1A1NT5ELMNAMEN1
SCHEMBL10772754 0.73 POLB (0.47) POLBALDH1A1SMN1; SMN2CYP19A1LMNA
SCHEMBL9817733 0.72 ALDH1A1 (0.51) POLBALDH1A1SMN1; SMN2LMNAMEN1

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-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0229339-A2 Water soluble triphene dioxazine compounds, their starting compounds containing sulphonyl groups, process for their preparation and use of the triphene dioxazines as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed