SCHEMBL2650774

SCHEMBL2650774

O=C(Nc1ccc(CC(C(=O)Nc2nccs2)C2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.59
▸ LMNA P02545 5/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ GAA P10253 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ POLB P06746 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ADORA2A P29274 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MGAM O43451 1/20 0.46
▸ SI P14410 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.44

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
SCHEMBL2652195 0.87 NPC1 (0.54) MAPTLMNANPC1ADORA2ASMN1; SMN2
SCHEMBL2650213 0.87 ADORA2A (0.49) MAPTLMNANPC1GAAHTT
SCHEMBL2650556 0.82 GCK (0.62) MAPTLMNANPC1KDM4EGAA
SCHEMBL2659242 0.80 LMNA (0.49) MAPTLMNANPC1KDM4EHTT
SCHEMBL3191246 0.76 NPC1 (1.00) MAPTLMNANPC1KDM4EGAA
SCHEMBL2653570 0.75 LMNA (0.45) MAPTLMNAKDM4EHTTPOLB
SCHEMBL2662039 0.74 LMNA (0.45) LMNANPC1ADORA2ASMN1; SMN2MEN1
SCHEMBL2661212 0.74 GCK (0.48) LMNANPC1POLBSMN1; SMN2MEN1
SCHEMBL2661654 0.73 GCK (0.48) LMNANPC1POLBSMN1; SMN2MEN1
SCHEMBL2651594 0.73 GCK (0.48) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283830-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-19 — — EP claimed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 — — WO claimed
EP-1283830-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-19 — — EP disclosed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 — — WO disclosed
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