SCHEMBL11869772

SCHEMBL11869772

NC(=O)Cl.O=C=Nc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3A P46098 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
TAAR1 Q96RJ0 1/20 0.44
CYP3A4 P08684 1/20 0.42
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SLC9A1 P19634 1/20 0.36
PBRM1 Q86U86 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
Carbamic Acid SCHEMBL11869786 0.91 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29537333 0.88 CYP3A4 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL93270 0.88 CYP3A4 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL9078903 0.86 CYP3A4 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
Methane SCHEMBL27995664 0.86 CYP3A4 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL9078906 0.86 CYP3A4 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6999020 0.84 CYP3A4 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3341321 0.80 CYP3A4 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7529492 0.79 CYP3A4 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9795278 0.76 CYP3A4 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953546-A PESTICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-27 US disclosed