SCHEMBL11786372

SCHEMBL11786372

N#CCCc1nc(N)nc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.54
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL28567586 0.86 CASP1 (0.62) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL28914018 0.83 CASP1 (0.58) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL4448651 0.76 CASP1 (0.77) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL17652128 0.75 NPC1 (0.50) CASP1CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL9283549 0.71 POLB (0.41) SMN1; SMN2HTTKMT2AALDH1A1POLB
SCHEMBL11334327 0.69 CASP1 (0.83) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL27570534 0.69 CASP1 (0.65) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL7174047 0.67 CASP1 (0.62) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL671139 0.67 CASP1 (0.62) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL8365502 0.67 CA1 (0.39) NPC1RAB9ASMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425857-A Photosensitive composition, cured film using same, color filter, optical filter, image display device, solid-state imaging element, and infrared sensor 东洋油墨SC控股株式会社 2024-01-19 CN disclosed
CN-116266033-A Photosensitive coloring composition for blue color filter, solid-state imaging element, and liquid crystal display device 东洋油墨SC控股株式会社 2023-06-20 CN disclosed
US-3972849-A MILLED PARTICULATE, MOVING REACTION VESSEL CONTAINING CARRIER BODIES BASF AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed