SCHEMBL9303724

SCHEMBL9303724

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.70
MEN1 O00255 9/20 0.70
MAPT P10636 8/20 0.70
ALDH1A1 P00352 5/20 0.70
KDM4E B2RXH2 5/20 0.70
ATM Q13315 4/20 0.70
HPGD P15428 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MAOB P27338 3/20 0.70
USP2 O75604 2/20 0.70
HSD17B10 Q99714 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C19 P33261 1/20 0.70
SLC16A3 O15427 1/20 0.70
ALOX15 P16050 1/20 0.70
SLC16A1 P53985 1/20 0.70
GBA1 P04062 1/20 0.68
NPC1 O15118 1/20 0.62
STAT3 P40763 1/20 0.62
STAT1 P42224 1/20 0.62

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
SCHEMBL13403918 0.92 KMT2A (0.71) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL16293207 0.90 KMT2A (0.73) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL13081989 0.89 KMT2A (0.70) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL13248271 0.89 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL17737793 0.87 KMT2A (0.65) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL13524251 0.86 KMT2A (0.74) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL29611843 0.86 MEN1 (0.77) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL580009 0.86 MEN1 (0.77) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL14820431 0.86 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2184853 0.86 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1KDM4E

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-5286803-A Coumarin dyes and side-chain coumarin dye-substituted polymers which exhibit nonlinear optical properties THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-02-15 US disclosed