SCHEMBL8667665

SCHEMBL8667665

c1ccc(N2CSN(c3ccccc3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.39
LMNA P02545 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
CHRNA7 P36544 3/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CHRNB2 P17787 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL474882 0.70 SIGMAR1 (0.52) BPTFLMNASIGMAR1HTR3EHTR3B
SCHEMBL27835131 0.68 SIGMAR1 (0.50) BPTFLMNASIGMAR1HTR3EHTR3B
SCHEMBL1006036 0.66 LMNA (0.54) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL28566678 0.65 MAPT (0.58) LMNASIGMAR1CYP3A4ALOX15MAPK1
SCHEMBL576454 0.65 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL576814 0.65 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL385012 0.65
SCHEMBL164538 0.65 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL16924853 0.65 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1
Bromide SCHEMBL19272502 0.64 LMNA (0.52) LMNASIGMAR1HTR3EHTR3BADRB1

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
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed