SCHEMBL6830890

SCHEMBL6830890

CC1CCN(c2ncccc2C(=O)NC2=CC[CH]C(C(C)(C)C)=C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KIF18A Q8NI77 9/20 0.41
CHIA Q9BZP6 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL6829355 0.85 SCN10A (0.39) KMT2AALDH1A1MEN1KIF18ATRPV1
SCHEMBL6829453 0.80 KMT2A (0.58) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL6829454 0.76 KMT2A (0.64) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL6645164 0.67 ALDH1A1 (0.54) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL6644178 0.65 L3MBTL1 (0.56) KMT2AALDH1A1MEN1L3MBTL1KIF18A
SCHEMBL6825968 0.65 SCN10A (0.41) KMT2AALDH1A1MEN1KIF18ATRPV1
SCHEMBL6826008 0.64 SCN10A (0.61) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL6647795 0.64 KMT2A (0.51) KMT2AALDH1A1MEN1L3MBTL1KIF18A
SCHEMBL6825984 0.64 ALDH1A1 (0.74) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL14498795 0.62 CHIA (0.51) KMT2AALDH1A1MEN1CYP1A2CYP3A4

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
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed