SCHEMBL9094635

SCHEMBL9094635

C[C]=Nc1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.55
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
NPC1 O15118 4/20 0.48
CASP3 P42574 3/20 0.48
SENP8 Q96LD8 3/20 0.48
SENP7 Q9BQF6 3/20 0.48
SENP6 Q9GZR1 3/20 0.48
MEN1 O00255 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
NSD2 O96028 1/20 0.48
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9094629 1.00 ACHE (0.55) ACHEHTR3EHTR3BHTR3AHTR3D
SCHEMBL6275073 0.84 HTR3E (0.52) ACHEHTR3EHTR3BHTR3AHTR3D
SCHEMBL30102207 0.80 MEN1 (0.67) ACHEHTR3EHTR3BHTR3AHTR3D
SCHEMBL1405329 0.80 MEN1 (0.67) ACHEHTR3EHTR3BHTR3AHTR3D
SCHEMBL11981455 0.80 MEN1 (0.67) ACHEHTR3EHTR3BHTR3AHTR3D
SCHEMBL30332449 0.80 MEN1 (0.67) ACHEHTR3EHTR3BHTR3AHTR3D
SCHEMBL1405327 0.80 MEN1 (0.67) ACHEHTR3EHTR3BHTR3AHTR3D
SCHEMBL59246 0.80 CYP3A4 (0.52) ACHEHTR3EHTR3BHTR3AHTR3D
SCHEMBL18265417 0.80 HTR3E (0.48) ACHEHTR3EHTR3BHTR3AHTR3D
SCHEMBL20337 0.80 MIF (0.54) ACHEHTR3EHTR3BHTR3AHTR3D

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-5510344-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1996-04-23 US disclosed
US-5332752-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-07-26 US disclosed