SCHEMBL12935540

SCHEMBL12935540

CC(C)(C)C(C)(O)C#Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
APP P05067 1/20 0.46
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
NR1H2 P55055 1/20 0.35
VCP P55072 1/20 0.35
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
GRM5 P41594 1/20 0.34
CYP1A1 P04798 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
SCHEMBL9906153 1.00 MAPT (0.53) MAPTKMT2AATMAPPNPSR1
SCHEMBL9794436 0.83 MAPT (0.50) MAPTKMT2AATMAPPNPSR1
SCHEMBL487465 0.82 MAPT (0.56) MAPTAPPNPSR1NPC1MTOR
SCHEMBL18561130 0.78 MAPT (0.53) MAPTAPPKCNH2FFAR1
SCHEMBL28592261 0.78 MAPT (0.49) MAPTAPPNPSR1CYP3A4NR1H2
SCHEMBL523695 0.77 MAPT (0.51) MAPTKMT2AAPPNPSR1NPC1
Bicarbonate SCHEMBL28540490 0.77 MAPT (0.51) MAPTAPPNPSR1NPC1MTOR
Dimethylamine SCHEMBL700542 0.77 MAPT (0.51) MAPTAPPNPSR1NPC1MTOR
SCHEMBL2183993 0.77 APP (0.55) MAPTKMT2AAPPNPSR1NPC1
SCHEMBL562815 0.77 APP (0.55) MAPTKMT2AAPPNPSR1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283116-B1 Methods of screening for compounds for treating spinal muscular atrophy using SMN mRNA translation regulation PTC THERAPEUTICS, INC. (US) 2012-10-09 US claimed
US-9394539-B1 Survival motor neuron gene (SMN2) mRNA constructs for post-transcription regulation PTC THERAPEUTICS, INC. (US) 2016-07-19 US disclosed
US-9394539-B1 Survival motor neuron gene (SMN2) mRNA constructs for post-transcription regulation PTC THERAPEUTICS, INC. (US) 2016-07-19 US disclosed
US-9394539-B1 Survival motor neuron gene (SMN2) mRNA constructs for post-transcription regulation PTC THERAPEUTICS, INC. (US) 2016-07-19 US disclosed
US-8283116-B1 Methods of screening for compounds for treating spinal muscular atrophy using SMN mRNA translation regulation PTC THERAPEUTICS, INC. (US) 2012-10-09 US disclosed
US-8283116-B1 Methods of screening for compounds for treating spinal muscular atrophy using SMN mRNA translation regulation PTC THERAPEUTICS, INC. (US) 2012-10-09 US disclosed