SCHEMBL29906205

SCHEMBL29906205

c1ccc(-c2cccc3c2oc2ncccc23)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 5/20 0.43
TP53 P04637 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42

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
SCHEMBL15673006 1.00 KDM4E (0.43) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL24523701 0.88 KDM4E (0.50) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL23996441 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL25058944 0.82 KDM4E (0.41) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL15672843 0.82 SMN1; SMN2 (0.41) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL483218 0.81 ALOX5 (0.50) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL29496934 0.81 ALOX5 (0.50) KDM4EALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL15695118 0.81 ALDH1A1 (0.44) KDM4EALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL23912236 0.81 PRKDC (0.55) KDM4EALDH1A1HSD17B10MAPK1CYP1A2
SCHEMBL25716391 0.81 PIK3CA (0.37) KDM4EALDH1A1NPC1HPGDHSD17B10

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
CN-114989225-A Organic light-emitting material 环球展览公司 2022-09-02 CN disclosed