SCHEMBL21385330

SCHEMBL21385330

Brc1ccc(-c2ccc(-c3cccc(-c4cc5c6c(cccc6n4)Sc4ccccc4-5)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
AGTR1 P30556 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
TOP1 P11387 2/20 0.33
EPRS1 P07814 1/20 0.33
BIRC5 O15392 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
ACP1 P24666 1/20 0.32
ACACA Q13085 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL21382834 0.88 MAPT (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21382919 0.79 LIPG (0.46) TOP1
SCHEMBL20256664 0.77 TYMS (0.36) ALDH1A1MAPK1KDM4EMAPTMEN1
SCHEMBL17283738 0.75 TYMS (0.42) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL31301084 0.75 TYMS (0.42) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL21383207 0.75 LIPG (0.37)
SCHEMBL740550 0.73 MAPT (0.44) ACHEALDH1A1MAPK1TOP1KDM4E
SCHEMBL23587893 0.73 DRD2 (0.32) ALDH1A1MAPTMEN1KMT2A
SCHEMBL17283725 0.72 TYMS (0.45) ALDH1A1MAPK1KDM4EMAPTLMNA
SCHEMBL17283766 0.72 TYMS (0.45) ALDH1A1MAPK1KDM4EMAPTLMNA

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-2019182360-A1 COMPOUND, ORGANIC LIGHT-EMITTING DEVICE AND DISPLAY DEVICE 에스케이머티리얼즈 주식회사 2019-09-26 WO disclosed