SCHEMBL28429649

SCHEMBL28429649

c1ccc(-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
MAPK14 Q16539 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR6 P50406 1/20 0.33
ACHE P22303 1/20 0.33
TSPO P30536 1/20 0.32
RCE1 Q9Y256 1/20 0.32
IL1R1 P14778 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
SCHEMBL21165689 0.88 L3MBTL1 (0.44) KDM4EL3MBTL1ATMALDH1A1KMT2A
SCHEMBL21708988 0.87 TSPO (0.43) KDM4EL3MBTL1ATMALDH1A1KMT2A
SCHEMBL24927481 0.84 GABRA1 (0.41) ATMALDH1A1KMT2AHSD17B10MEN1
SCHEMBL24927656 0.84 MEN1 (0.40) KMT2AMEN1
SCHEMBL11910812 0.84 KDM4E (0.39) KDM4EL3MBTL1ATMALDH1A1KMT2A
SCHEMBL13669260 0.84 KDM4E (0.39) KDM4EL3MBTL1ATMALDH1A1KMT2A
SCHEMBL24927159 0.83 GABRA1 (0.40) ATMALDH1A1KMT2AHSD17B10MEN1
SCHEMBL24923755 0.83 ATM (0.41) KDM4EL3MBTL1ATMALDH1A1KMT2A
SCHEMBL25671853 0.83 ATM (0.41) KDM4EL3MBTL1ATMALDH1A1KMT2A
SCHEMBL25941308 0.83 ATM (0.41) KDM4EL3MBTL1ATMALDH1A1KMT2A

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-111432515-A Electronic device 株式会社半导体能源研究所 2020-07-17 CN disclosed