SCHEMBL5081271

SCHEMBL5081271

CCN(C(N)=S)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MAPT P10636 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
F2 P00734 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40

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
SCHEMBL8829703 0.80 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL145553 0.78 ALDH1A1 (0.59) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL11564123 0.78 GPBAR1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27381796 0.77 CTSL (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18762983 0.77 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2812938 0.77 ALDH1A1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7610530 0.74 TSHR (0.49) MAPTGPBAR1ALDH1A1CYP3A4HTT
SCHEMBL7113669 0.72 MAPT (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6098011 0.72 F2 (0.43) MAPTF2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11047326 0.71 HTR3E (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227895-A1 Fire retardant vinyl chloride-based resin composition and molded article thereof MITSUBISHI PLASTICS, INC. (JP) 2008-09-18 US disclosed
US-20060014874-A1 Flame-resistant vinyl chlorride based resin composition and formed product therefrom MITSUBISHI PLASTICS, INC. (JP) 2006-01-19 US disclosed