SCHEMBL10693210

SCHEMBL10693210

COc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.59
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ESR2 Q92731 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
SCHEMBL7778141 0.90 ALDH1A1 (0.45) SLC2A1MAPTNPC1RAB9AMEN1
SCHEMBL10692670 0.90 SLC2A1 (0.50) SLC2A1MAPTSMN1; SMN2TP53NPC1
SCHEMBL10689571 0.89 MEN1 (0.51) SLC2A1MAPTSMN1; SMN2TP53NPC1
SCHEMBL10689340 0.84 TP53 (0.42) SLC2A1MAPTSMN1; SMN2TP53NPC1
SCHEMBL10999527 0.82 ALDH1A1 (0.43) MAPTSMN1; SMN2NPC1RAB9ANOX1
SCHEMBL10694450 0.81 ALDH1A1 (0.39) SLC2A1MAPTNPC1MEN1KMT2A
SCHEMBL7780614 0.81 ALDH1A1 (0.40) SLC2A1MAPTMEN1KMT2ACYP1A2
SCHEMBL10689753 0.81 ALDH1A1 (0.42) SLC2A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12726665 0.81 ALDH1A1 (0.44) SLC2A1MAPTMEN1KMT2ALMNA
SCHEMBL7187749 0.81 SLC2A1 (0.45) SLC2A1MAPTSMN1; SMN2TP53NPC1

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