SCHEMBL22700478

SCHEMBL22700478

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)sc4c(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)cccc45)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
NTSR1 P30989 1/20 0.40
LIMK1 P53667 7/20 0.40
GLA P06280 1/20 0.39
LIMK2 P53671 1/20 0.37
PRKDC P78527 1/20 0.37
TSHR P16473 2/20 0.35
ATM Q13315 2/20 0.35
AGTR1 P30556 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL22700482 0.99 ALOX5 (0.49) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL22700487 0.96 ALOX5 (0.47) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL22330172 0.96 ALOX5 (0.47) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL24216671 0.95 ALOX5 (0.46) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL22700277 0.95 ALOX5 (0.46) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL26004020 0.95 ALOX5 (0.47) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL25644486 0.94 ALOX5 (0.43) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL22700285 0.93 MEN1 (0.44) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL22700772 0.93 MEN1 (0.44) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL24217211 0.93 ALOX5 (0.52) ALOX5MEN1KMT2AMAPTALDH1A1

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