SCHEMBL9533260

SCHEMBL9533260

CC(C)(C)NC(N)=Nc1ccccc1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1C3 P42330 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
NSD2 O96028 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL9533258 1.00 ALDH1A1 (0.38) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL9424006 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL9424008 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL9530216 0.84 GAA (0.36) ALDH1A1KMT2AL3MBTL1MEN1ALOX15
SCHEMBL9530210 0.84 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9532357 0.84 ALDH1A1 (0.38) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL9424153 0.83 ALOX15 (0.39) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL9424151 0.83 ALOX15 (0.39) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL9533902 0.83 ALDH1A1 (0.38) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL9424265 0.82 LMNA (0.42) ALDH1A1KMT2AL3MBTL1MEN1LMNA

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
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP claimed