SCHEMBL28374091

SCHEMBL28374091

c1ccc(-c2cccc(-c3cccc4cc5ccccc5cc34)n2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
CCR1 P32246 3/20 0.60
CCR5 P51681 3/20 0.60
CCR8 P51685 3/20 0.60
TP53 P04637 3/20 0.60
MAPK1 P28482 2/20 0.60
ALOX15 P16050 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HSP90AA1 P07900 2/20 0.60
ALPL P05186 1/20 0.60
ALPI P09923 1/20 0.60
ALPG P10696 1/20 0.60
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL1817511 0.91 KDM4E (0.50) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL31261515 0.91 KDM4E (0.50) KDM4ELMNASMN1; SMN2CCR1CCR5
Hydrochloric Acid SCHEMBL28716572 0.90 KDM4E (0.48) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL28681737 0.88 KDM4E (0.47) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL5366233 0.87 KDM4E (0.46) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL27845489 0.87 HTR2C (0.47) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL12626761 0.86 KDM4E (0.52) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL27908766 0.82 KDM4E (0.44) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL11992075 0.81 KDM4E (0.53) KDM4ELMNASMN1; SMN2CCR1CCR5
SCHEMBL28655287 0.81 KDM4E (0.44) KDM4ELMNASMN1; SMN2CCR1CCR5

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-107266481-B Material for organic electroluminescent element, display device, and lighting device 捷恩智株式会社 2020-04-14 CN disclosed