SCHEMBL10693869

SCHEMBL10693869

COc1ccc(C(c2ccc(N(C)C)cc2N(C)C)c2c(C(=O)O)cccc2N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
LMNA P02545 3/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TP53 P04637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ESR2 Q92731 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK14 Q16539 1/20 0.35
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10692670 0.85 SLC2A1 (0.50) SLC2A1LMNAMAPTMEN1KMT2A
SCHEMBL10693210 0.78 SLC2A1 (0.59) SLC2A1LMNAMAPTMEN1KMT2A
SCHEMBL10689753 0.75 ALDH1A1 (0.42) SLC2A1LMNAMAPTMEN1KMT2A
SCHEMBL10691903 0.75 MEN1 (0.47) SLC2A1LMNAMAPTMEN1KMT2A
SCHEMBL10689571 0.71 MEN1 (0.51) SLC2A1LMNAMAPTMEN1KMT2A
SCHEMBL10691570 0.70 ALDH1A1 (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL10689340 0.68 TP53 (0.42) SLC2A1LMNAMAPTMEN1KMT2A
SCHEMBL989188 0.68 KMT2A (0.66) MAPTMEN1KMT2ATP53NPC1
SCHEMBL7778141 0.68 ALDH1A1 (0.45) SLC2A1MAPTMEN1KMT2AMAOA
SCHEMBL28673995 0.68 LMNA (0.57) LMNAMAPTMEN1KMT2ATP53

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-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed