SCHEMBL10692670

SCHEMBL10692670

COc1ccc(C(c2ccc(N(C)C)cc2C(=O)O)c2ccc(N(C)C)cc2N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.50
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ESR2 Q92731 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
LMNA P02545 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90AA1 P07900 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 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
SCHEMBL10693210 0.90 SLC2A1 (0.59) SLC2A1MAOBMAOAMAPTSMN1; SMN2
SCHEMBL10689753 0.90 ALDH1A1 (0.42) SLC2A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10691903 0.86 MEN1 (0.47) SLC2A1MAOBMAOAMAPTSMN1; SMN2
SCHEMBL10693869 0.85 SLC2A1 (0.45) SLC2A1MAOBMAOAMAPTSMN1; SMN2
SCHEMBL10689571 0.85 MEN1 (0.51) SLC2A1MAOBMAOAMAPTSMN1; SMN2
SCHEMBL10691570 0.83 ALDH1A1 (0.43) MAPTSMN1; SMN2NPC1RAB9ANOX1
SCHEMBL7778141 0.80 ALDH1A1 (0.45) SLC2A1MAOBMAOAMAPTNPC1
SCHEMBL10689340 0.80 TP53 (0.42) SLC2A1MAPTSMN1; SMN2TP53NPC1
SCHEMBL10694450 0.77 ALDH1A1 (0.39) SLC2A1MAPTNPC1LMNAMEN1
SCHEMBL10690047 0.77 ACACB (0.41) SLC2A1MAOBMAPTSMN1; SMN2NPC1

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