SCHEMBL6943289

SCHEMBL6943289

CCC(C(=O)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
DGAT1 O75907 5/20 0.48
TP53 P04637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD17B3 P37058 1/20 0.43

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
SCHEMBL6944928 0.92 MAPT (0.72) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL14764652 0.86 MAPT (0.80) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL9284781 0.85 MAPT (1.00) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL2548018 0.85 MAPT (1.00) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3120176 0.85 MAPT (1.00) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL13568628 0.83 MAPT (0.76) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL20194400 0.83 MAPT (0.76) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL26212871 0.83 MAPT (0.76) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL9664895 0.82 MAPT (0.78) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL14764536 0.82 MAPT (0.85) MAPTALDH1A1GAASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583136-B1 Broad-spectrum antifungal against which there is no existing resistance; Systemic fungal infections; JANSSEN PHARMACUETICA N.V. (BE) 2003-06-24 US disclosed
EP-1177192-B1 ANTIFUNGAL ETHERS JANSSEN PHARMACEUTICA NV (BE) 2003-03-19 EP disclosed
EP-1077976-B1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA NV (BE) 2002-08-07 EP disclosed
US-6384030-B1 COMPOUNDS AS FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-07 US disclosed
EP-0957101-A1 Water soluble azoles as broad-spectrum antifungals JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-17 EP disclosed