SCHEMBL28440324

SCHEMBL28440324

CC(C)(C)c1cccc(-c2ccccn2)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CCR1 P32246 2/20 0.43
▸ CCR5 P51681 2/20 0.43
▸ CCR8 P51685 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ METAP1 P53582 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ DOHH Q9BU89 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALPL P05186 1/20 0.42
▸ HSP90AA1 P07900 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
SCHEMBL9258894 0.85 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30022592 0.84 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17194970 0.83 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27269487 0.81 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28439751 0.80 CA2 (0.39) KDM4ELMNACYP1A2HIF1AALOX15
SCHEMBL8898797 0.80 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29721294 0.80 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18415019 0.79 SMN1; SMN2 (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4461655 0.77 CA2 (0.50) KDM4ELMNACYP1A2SMN1; SMN2L3MBTL1
SCHEMBL364453 0.77 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8

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-111454235-A Organic electroluminescent materials and devices 机光科技股份有限公司 2020-07-28 — — CN claimed
Send feedback