SCHEMBL8196645

SCHEMBL8196645

C[C@H](O)[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
GAA P10253 4/20 0.72
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 3/20 0.72
LMNA P02545 3/20 0.72
HTT P42858 2/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
DGAT1 O75907 5/20 0.48
PKM P14618 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.42
ROCK2 O75116 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
POLB P06746 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL6752323 1.00 MAPT (0.72) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6748762 1.00 MAPT (0.72) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6748764 1.00 MAPT (0.72) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6752606 1.00 MAPT (0.72) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL23355364 0.91 MAPT (0.73) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL23355908 0.91 MAPT (0.73) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL20639805 0.89 MAPT (0.57) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6944234 0.89 MAPT (0.70) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6939775 0.89 MAPT (0.70) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8445710 0.89 MAPT (0.70) MAPTGAAKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166018-A 2R, 4S, R, S- and 2S, 4R, R, S-hydroxyitraconazole SEPRACOR INC. (US) 2000-12-26 US disclosed