SCHEMBL10691917

SCHEMBL10691917

CN(C)c1ccc(C2OC(=O)c3ccc(N(C)C)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.40
NR3C1 P04150 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TNKS O95271 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10693157 0.89 LMNA (0.44) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL339072 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL337709 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL10680094 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1GAAKMT2A
Dimethylamine SCHEMBL8359926 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL11281281 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL10599114 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL11063311 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL339729 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL1653589 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1GAAKMT2A

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-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed