SCHEMBL22700347

SCHEMBL22700347

c1ccc(-c2cc(-c3ccc(-c4ccc5sc6c(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)cccc6c5c4)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
HPGD P15428 5/20 0.43
NTSR1 P30989 1/20 0.43
LIMK1 P53667 2/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
PIM3 Q86V86 2/20 0.39
ROCK1 Q13464 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
ACACA Q13085 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 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
SCHEMBL22700328 1.00 ALOX5 (0.45) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22700315 0.99 MEN1 (0.46) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL20706040 0.96 ALOX5 (0.48) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL15501725 0.96 ALOX5 (0.48) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL24216405 0.96 ALOX5 (0.46) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22329625 0.95 MEN1 (0.43) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22329252 0.95 MEN1 (0.47) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22329627 0.94 MEN1 (0.46) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22329246 0.94 MEN1 (0.46) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22700543 0.94 MEN1 (0.46) ALOX5MEN1KMT2AALDH1A1MAPT

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