SCHEMBL20867958

SCHEMBL20867958

N=NNc1ccc(CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
LOXL2 Q9Y4K0 6/20 0.42
ABAT P80404 1/20 0.41
F10 P00742 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
TPSAB1 Q15661 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
F11 P03951 1/20 0.35
PNMT P11086 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 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
SCHEMBL17399267 0.81 ALDH1A1 (0.40)
SCHEMBL15382623 0.80 CYP1B1 (0.33)
SCHEMBL15782678 0.74 ALDH1A1 (0.39) CA12CA1CA2
SCHEMBL8265124 0.74 HRH3 (0.37) HRH3LOXL2ABATF10TAAR1
SCHEMBL18084271 0.73 MAPT (0.42) CA1CA2CA6CA9CA14
SCHEMBL18084269 0.72 MAOB (0.50) LOXL2
SCHEMBL258907 0.72 HRH3 (0.55) HRH3LOXL2ABATF10TAAR1
SCHEMBL27238704 0.71 HRH3 (0.79) HRH3LOXL2ABATF10TAAR1
SCHEMBL15828 0.71 HRH3 (0.79) HRH3LOXL2ABATF10TAAR1
SCHEMBL22990410 0.70 HRH3 (0.52) HRH3LOXL2ABATF10TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198685-A1 COMPOSITIONS, DEVICES AND METHODS FOR TREATING FABRY DISEASE SIGILON THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019195056-A1 METHODS, COMPOSITIONS, AND IMPLANTABLE ELEMENTS COMPRISING STEM CELLS SIGILON THERAPEUTICS, INC. (US) 2019-10-10 WO disclosed
WO-2019195055-A1 IMPLANTABLE PARTICLES AND RELATED METHODS SIGILON THERAPEUTICS, INC. (US) 2019-10-10 WO disclosed
WO-2019067766-A1 METHODS, COMPOSITIONS, AND IMPLANTABLE ELEMENTS COMPRISING ACTIVE CELLS SIGILON THERAPEUTICS, INC. (US) 2019-04-04 WO disclosed