SCHEMBL10479216

SCHEMBL10479216

C=C(C)COc1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
TSHR P16473 4/20 0.54
GPR174 Q9BXC1 1/20 0.50
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAOB P27338 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
WDR5 P61964 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL10338925 0.89 GPR174 (0.58) GPR174MAPK1MAPTL3MBTL1SMN1; SMN2
SCHEMBL5931918 0.83 GPR174 (0.53) TSHRGPR174MAPK1MAPTL3MBTL1
SCHEMBL6288038 0.83 GPR174 (0.53) TSHRGPR174MAPK1MAPTL3MBTL1
SCHEMBL13802372 0.81 TDP1 (0.50) TDP1TSHRMAPK1MAPTL3MBTL1
SCHEMBL1072731 0.81 GPR174 (0.51) TSHRGPR174MAPK1MAPTL3MBTL1
SCHEMBL8161826 0.81 WDR5 (0.57) TDP1GPR174MAPTL3MBTL1MAOB
SCHEMBL8388308 0.81 GPR174 (0.51) GPR174MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL13191449 0.80 MAOB (0.49) GPR174MAOBCHRNB2CHRNB4CHRNA3
SCHEMBL21430441 0.80 TAAR1 (0.50) GPR174L3MBTL1SMN1; SMN2CYP3A4
SCHEMBL13063383 0.80 TDP1 (0.50) TDP1TSHRGPR174MAPK1MAPT

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-4886868-A MOLDING MATERIALS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-12-12 US disclosed
US-4839440-A IMPROVED THERMAL PROPERTIES RHONE-POULENC CHIMIE (FR) 1989-06-13 US disclosed
US-4788295-A Functional monomaleimide and thermosetting composition therefrom RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-11-29 US disclosed
US-4777237-A HEAT-RESISTANT THERMOSETTING MOLDING MATERIALS RHONE-POULENC SPECIALITIES CHIMIQUES (FR) 1988-10-11 US disclosed
US-4742141-A HEAT-STABLE; IMPREGNANTS; COATING OR MOLDING RESINS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-05-03 US disclosed
US-4174326-A Imidyl compounds CIBA-GEIGY CORPORATION (US) 1979-11-13 US disclosed