SCHEMBL7449371

SCHEMBL7449371

COc1ccc(N2CCN(c3ccc(-n4cnn(C(C)C(C)N)c4=O)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
ALDH1A1 P00352 3/20 0.52
GAA P10253 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
DGAT1 O75907 3/20 0.44
KMT2A Q03164 3/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B3 P37058 1/20 0.40
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40

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
SCHEMBL7449366 1.00 MAPT (0.71) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL7461552 1.00 MAPT (0.71) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL6752273 0.88 MAPT (0.71) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL6752264 0.88 MAPT (0.71) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL6750795 0.88 MAPT (0.71) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL6750794 0.88 MAPT (0.71) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL9664895 0.88 MAPT (0.78) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL6939775 0.85 MAPT (0.70) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL6944234 0.85 MAPT (0.70) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL8445710 0.85 MAPT (0.70) MAPTALDH1A1GAALMNASMN1; SMN2

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-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-1077976-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-02-28 EP disclosed
WO-1999058530-A1 WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-18 WO disclosed