SCHEMBL29028843

SCHEMBL29028843

COc1ccc(Nc2nc(N3CCC3)nc(N3CCC3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
MAPT P10636 8/20 0.70
GBA1 P04062 1/20 0.69
GALR2 O43603 3/20 0.68
MAPK1 P28482 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
TDP1 Q9NUW8 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 2/20 0.60
CTSL P07711 2/20 0.60
CTSB P07858 2/20 0.60
CTSS P25774 2/20 0.60
CTSK P43235 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
GALR1 P47211 2/20 0.60
HTT P42858 1/20 0.57

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
SCHEMBL14503015 0.95 MEN1 (0.75) MEN1KMT2AMAPTGBA1GALR2
SCHEMBL15613258 0.84 CTSL (0.78) MEN1KMT2AMAPTGBA1GALR2
SCHEMBL14503217 0.82 GALR2 (0.60) MEN1KMT2AMAPTGBA1GALR2
SCHEMBL14503172 0.81 GBA1 (0.58) MEN1KMT2AMAPTGBA1GALR2
SCHEMBL10144392 0.81 GALR2 (1.00) MEN1KMT2AMAPTGBA1GALR2
SCHEMBL29345032 0.80 MEN1 (0.85) MEN1KMT2AMAPTGALR2MAPK1
SCHEMBL10143745 0.80 GALR2 (0.73) MEN1KMT2AMAPTGBA1GALR2
SCHEMBL5390852 0.79 MEN1 (0.61) MEN1KMT2AMAPTGBA1GALR2
SCHEMBL14504844 0.79 PTGS2 (0.59) MEN1KMT2AMAPTGBA1GALR2
SCHEMBL5376325 0.78 MEN1 (0.60) MEN1KMT2AMAPTGBA1GALR2

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
CN-111065628-B Novel triazine derivative and photosensitive composition comprising the same 株式会社特雷尔 2023-06-02 CN disclosed