SCHEMBL13618580

SCHEMBL13618580

CCc1ccc(Nc2ccc(OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
GAA P10253 5/20 0.71
RAB9A P51151 4/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
NPC1 O15118 3/20 0.71
MAPK1 P28482 2/20 0.71
KDM4E B2RXH2 1/20 0.71
THRB P10828 1/20 0.71
RECQL P46063 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
NR4A1 P22736 1/20 0.59
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.52

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
SCHEMBL30878 0.87 CA12 (0.61) MAPTKDM4ESMN1; SMN2LMNAALDH1A1
Dimethylamine SCHEMBL5809746 0.85 SMN1; SMN2 (0.56) MAPTGAASMN1; SMN2LMNAALDH1A1
Bromide SCHEMBL28187052 0.84 IDO1 (0.58) MAPTKDM4ESMN1; SMN2LMNAALDH1A1
Ammonia Solution, Strong SCHEMBL266020 0.84 IDO1 (0.58) MAPTKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL49571 0.84 RAB9A (0.55) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL1459772 0.84 MAPT (1.00) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL39057 0.84 MAPT (1.00) MAPTGAARAB9AL3MBTL1NPC1
Dimethylamine SCHEMBL6440259 0.83 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1ALOX12HTT
SCHEMBL8348682 0.82 MAPT (0.72) MAPTGAARAB9AL3MBTL1NPC1
Bromide SCHEMBL25274321 0.82 IDO1 (0.56) MAPTKDM4ESMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160139143-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2016-05-19 US disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed