SCHEMBL9527212

SCHEMBL9527212

Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2-c2nc3ccccc3c(=O)o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ MAPT P10636 4/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ LMNA P02545 1/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ELANE P08246 1/20 0.53
▸ KLK3 P07288 1/20 0.51
▸ C1R P00736 3/20 0.50
▸ CRHBP P24387 3/20 0.50
▸ CRHR2 Q13324 3/20 0.50
▸ HSP90AA1 P07900 2/20 0.50
▸ F2 P00734 1/20 0.50
▸ CYP19A1 P11511 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ APEX1 P27695 1/20 0.47

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
SCHEMBL9527940 0.87 KMT2A (0.79) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL5975754 0.86 KMT2A (0.84) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9530236 0.78 MAPT (0.61) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL5975597 0.78 KMT2A (1.00) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL10819490 0.77 KMT2A (0.88) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL914109 0.77 C1R (0.74) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL7193110 0.77 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9528544 0.76 KMT2A (0.86) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL915000 0.76 APEX1 (0.73) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL924320 0.75 MAPT (1.00) MEN1KMT2AMAPTALDH1A1GAA

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
EP-0314350-B1 FLUORESCENT COMPOUNDS AND THEIR USE THOMAS DE LA RUE & COMPANY LIMITED (GB) 1993-10-06 — — EP claimed
Send feedback