SCHEMBL10690455

SCHEMBL10690455

CCN(CC)c1ccc(C2OC(=O)c3cc(NC)ccc32)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 5/20 0.39
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
GFER P55789 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GHSR Q92847 2/20 0.37
EGFR P00533 1/20 0.36
NR3C1 P04150 2/20 0.36
CA2 P00918 2/20 0.36
ABCB1 P08183 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL11062345 0.86 ATM (0.47) ALDH1A1L3MBTL1MAPTGAANPSR1
SCHEMBL11073531 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTGAANPSR1
SCHEMBL11071747 0.85 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTGAANPSR1
SCHEMBL11065598 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTGAANPSR1
SCHEMBL10689226 0.79 KDM4E (0.41) ALDH1A1L3MBTL1MAPTGAANPSR1
SCHEMBL11066781 0.78 GHSR (0.39) ALDH1A1L3MBTL1MAPTGAANPSR1
SCHEMBL11073178 0.76 CA2 (0.43) ALDH1A1L3MBTL1MAPTGAANPSR1
SCHEMBL11065463 0.74 ATM (0.48) ALDH1A1L3MBTL1MAPTGAAHTT
SCHEMBL10692313 0.73 MAOB (0.38) ALDH1A1L3MBTL1MAPTGAAMAPK1
SCHEMBL27884544 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTGAAHTT

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