SCHEMBL22700514

SCHEMBL22700514

CC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3cccc4c3sc3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc34)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
MEN1 O00255 9/20 0.39
KMT2A Q03164 9/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 7/20 0.39
MAPT P10636 6/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
NTSR1 P30989 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRKDC P78527 1/20 0.32
ACACA Q13085 1/20 0.32
AGTR1 P30556 1/20 0.31
LIMK1 P53667 1/20 0.31
USP2 O75604 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
SCHEMBL22700516 0.99 ALOX5 (0.40) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL22700578 0.94 MEN1 (0.39) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL17640472 0.92 ALOX5 (0.40) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL17640364 0.92 ALOX5 (0.40) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL22700262 0.92 ALOX5 (0.40) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL17425600 0.92 ALOX5 (0.39) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL22700327 0.91 ALOX5 (0.40) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL15501931 0.89 ALOX5 (0.43) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL22329249 0.88 ALOX5 (0.47) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL24129704 0.88 MEN1 (0.36) ALOX5MEN1KMT2AALDH1A1HPGD

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