SCHEMBL23183202

SCHEMBL23183202

C=N/C(=N\C)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.38
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
MPO P05164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL24626855 0.79 L3MBTL1 (0.34) NAPRTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15102290 0.77 ATM (0.37) NAPRTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL25499690 0.75 L3MBTL1 (0.34) NAPRTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13977937 0.72 NPC1 (0.39) KDM4EMEN1KMT2AGAANPC1
SCHEMBL8017041 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EADORA3CYP2C19
SCHEMBL19300439 0.71 HDAC1 (0.42) ALDH1A1MEN1KMT2ANPC1HDAC3
SCHEMBL19542236 0.70 NAPRT (0.42) NAPRTLTA4HALDH1A1KDM4EL3MBTL1
SCHEMBL15452358 0.70 L3MBTL1 (0.52) NAPRTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL8231887 0.70 L3MBTL1 (0.39) NAPRTLTA4HALDH1A1KDM4EL3MBTL1
SCHEMBL3554902 0.68 LMNA (0.46) NAPRTKDM4EMEN1KMT2AGAA

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
WO-2021057264-A1 COMPOUND, PHOTOELECTRIC CONVERSION DEVICE, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-04-01 WO disclosed