SCHEMBL8570808

SCHEMBL8570808

CNC(=O)CCn1c(=O)oc2cccc(C)c21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 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
SCHEMBL8570376 0.84 MAPK1 (0.62) RECQLL3MBTL1MAPK1MAPTALDH1A1
SCHEMBL8570374 0.80 MAPK1 (0.71) RECQLL3MBTL1MAPK1MAPTALDH1A1
SCHEMBL5293998 0.76 KMT2A (0.47) RECQLALDH1A1KMT2ACYP2C19TP53
SCHEMBL2149188 0.75 ALDH1A1 (0.45) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL5558972 0.75 HPGD (0.60) RECQLMAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3354467 0.73 POLB (0.41) RECQLMAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14199038 0.72 POLB (0.41) RECQLL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL15157087 0.70 KMT2A (0.45) RECQLL3MBTL1ALDH1A1KMT2ACYP2C19
SCHEMBL9715954 0.69 POLB (0.39) RECQLL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL5282646 0.68 KMT2A (0.42) RECQLL3MBTL1MAPTALDH1A1KMT2A

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed