SCHEMBL22989092

SCHEMBL22989092

c1ccc2nc(-c3ccc(-n4c5ccc6cccc7sc8cccc9ccc4c(c98)c5c67)c4ccccc34)c(-c3ccc4c(c3)oc3ccccc34)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22989006 0.93 PRKDC (0.33) PRKDCL3MBTL1
SCHEMBL22989038 0.90 PRKDC (0.33) PRKDCALDH1A1SMN1; SMN2
SCHEMBL22989119 0.89 PRKDC (0.31) PRKDCMEN1ALDH1A1POLBKMT2A
SCHEMBL22989090 0.88 CYP1A2 (0.33)
SCHEMBL18877075 0.88 TDP1 (0.33) PRKDCMEN1ALDH1A1POLBKMT2A
SCHEMBL22989249 0.87 PRKDC (0.33) PRKDC
SCHEMBL22989088 0.86 ALOX5 (0.33) PRKDC
SCHEMBL22988947 0.86 ALDH1A1 (0.33) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL22989060 0.85 CYP1A2 (0.34)
SCHEMBL22989086 0.85 PDE10A (0.32) MEN1ALDH1A1KMT2ASMN1; SMN2L3MBTL1

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed