SCHEMBL22767112

SCHEMBL22767112

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2ccc3oc4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4c3c2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
BMPR1B O00238 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 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
SCHEMBL22762446 0.95 SIRT2 (0.35) SIRT2SIRT1KDM4EATM
SCHEMBL22767137 0.95 SIRT2 (0.32) SIRT2SIRT1
SCHEMBL22767127 0.94 ALOX5 (0.34)
SCHEMBL22762281 0.93 BMPR1B (0.31) BMPR1BACVRL1ACVR1ALDH1A1HSD17B10
SCHEMBL22767131 0.93 SIRT2 (0.30) SIRT2SIRT1
SCHEMBL22762413 0.92 SIRT2 (0.32) SIRT2SIRT1ALDH1A1HSD17B10MAPT
SCHEMBL22762411 0.92 SIRT2 (0.32) SIRT2SIRT1ALDH1A1HSD17B10MAPT
SCHEMBL22767123 0.91 SIRT2 (0.33) SIRT2SIRT1
SCHEMBL22767117 0.91 SIRT2 (0.32) SIRT2SIRT1ALDH1A1HSD17B10MAPT
SCHEMBL22767114 0.90 SIRT2 (0.33) SIRT2SIRT1ALDH1A1HSD17B10MAPT

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-2020246837-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-12-10 WO disclosed