SCHEMBL14948237

SCHEMBL14948237

CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCONC)c(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 4/20 0.59
MAOB P27338 3/20 0.59
ATM Q13315 3/20 0.59
HSD17B10 Q99714 3/20 0.59
HPGD P15428 2/20 0.59
USP2 O75604 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
SLC16A3 O15427 1/20 0.59
ALOX15 P16050 1/20 0.59
SLC16A1 P53985 1/20 0.59
GBA1 P04062 1/20 0.57
NPC1 O15118 1/20 0.55
STAT3 P40763 1/20 0.55
STAT1 P42224 1/20 0.55

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
SCHEMBL15298984 0.92 MAOB (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13524273 0.91 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13248271 0.90 KMT2A (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17612195 0.89 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13248269 0.89 KMT2A (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13248272 0.88 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3174736 0.88 KMT2A (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16202224 0.87 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9302597 0.86 KMT2A (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14820431 0.85 KMT2A (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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
US-20130122516-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2013-05-16 US disclosed
US-20130122516-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2013-05-16 US disclosed