SCHEMBL8501796

SCHEMBL8501796

CCC(O)Cn1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
HSD17B3 P37058 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
IGF1R P08069 1/20 0.42
DRD2 P14416 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL18856930 0.89 MAPT (0.64) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL7834009 0.87 MAPT (0.64) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL14764626 0.86 MAPT (0.66) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL11074635 0.85 MAPT (0.67) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL11069441 0.82 MAPT (0.64) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL7662521 0.82 MAPT (0.61) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13499379 0.81 MAPT (0.60) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL15912699 0.81 MAPT (0.61) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9384752 0.81 MAPT (0.58) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL7451368 0.81 MAPT (0.58) MAPTALDH1A1KDM4EGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958289-A1 AMINO ACID ESTER CONTAINING AZOLE ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-24 EP disclosed
WO-1998034934-A1 AMINO ACID ESTER CONTAINING AZOLE ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1998-08-13 WO disclosed