SCHEMBL22700477

SCHEMBL22700477

c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4c(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)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 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PIK3CA P42336 1/20 0.37
PI4KA P42356 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ACACA Q13085 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C19 P33261 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
SCHEMBL22700483 1.00 ALOX5 (0.45) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL24216671 0.95 ALOX5 (0.46) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22700291 0.95 MEN1 (0.47) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22329618 0.95 MEN1 (0.47) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL24216633 0.95 MEN1 (0.43) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22329971 0.95 MEN1 (0.43) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL26004020 0.95 ALOX5 (0.47) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL25644486 0.94 ALOX5 (0.43) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22329621 0.94 MEN1 (0.46) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL22700487 0.94 ALOX5 (0.47) 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