SCHEMBL22700592

SCHEMBL22700592

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4sc4cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c45)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.48
ALOX5 P09917 1/20 0.44
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA2A P29274 2/20 0.36

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
SCHEMBL21707186 1.00 LIMK1 (0.48) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL25645759 0.98 LIMK1 (0.47) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL21563811 0.97 LIMK1 (0.46) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL22330276 0.95 LIMK1 (0.44) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL22329388 0.95 LIMK1 (0.47) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL24216594 0.94 LIMK1 (0.46) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL24526108 0.94 LIMK1 (0.43) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL24526064 0.94 LIMK1 (0.43) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL24602442 0.94 LIMK1 (0.43) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL24216583 0.94 LIMK1 (0.46) LIMK1ALOX5MEN1KMT2AALDH1A1

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