SCHEMBL6944928

SCHEMBL6944928

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.72
ALDH1A1 P00352 6/20 0.56
GAA P10253 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
DGAT1 O75907 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
DRD2 P14416 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL6943289 0.92 MAPT (0.74) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL6939980 0.88 MAPT (0.73) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL20639830 0.87 DGAT1 (0.60) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL7462438 0.85 MAPT (0.70) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL14764652 0.85 MAPT (0.80) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3120176 0.84 MAPT (1.00) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL2548018 0.84 MAPT (1.00) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL9284781 0.84 MAPT (1.00) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL20194400 0.83 MAPT (0.76) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL13568628 0.83 MAPT (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077975-B1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA NV (BE) 2003-04-23 EP disclosed
US-6448244-B1 BROAD-SPECTRUM ANTIFUNGALS, AGAINST WHICH THERE IS NO EXISTING RESISTANCE AND WHICH CAN BE ADMINISTERED INTRAVENOUSLY OR TRANSUNGUALLY JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-10 US disclosed
EP-1077975-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-02-28 EP disclosed
WO-1999058529-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-18 WO disclosed