SCHEMBL22700421

SCHEMBL22700421

c1ccc(-c2cc(-c3cccc4sc5c(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccccc9c78)n6)cccc5c34)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
GLA P06280 1/20 0.36
NTSR1 P30989 1/20 0.34
LIMK1 P53667 1/20 0.32
MAPK1 P28482 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TERT O14746 2/20 0.32
ALOX5 P09917 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 2/20 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
SCHEMBL22700436 0.98 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL22700586 0.94 MEN1 (0.39) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL26004724 0.94 KMT2A (0.36) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL22329849 0.92 LIMK1 (0.36) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL22329414 0.92 LIMK1 (0.36) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL22329984 0.90 MEN1 (0.44) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL22700616 0.90 KMT2A (0.38) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL22700432 0.90 ALOX5 (0.37) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL24216878 0.89 LIMK1 (0.36) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL22700206 0.89 MEN1 (0.45) MAPTKMT2AMEN1ALDH1A1HPGD

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-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed