SCHEMBL29314772

SCHEMBL29314772

c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc6cc(-c7ccc8ccc9cccnc9c8n7)ccc6c5)c4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
TOP1 P11387 7/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
GLA P06280 1/20 0.44
NTSR1 P30989 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
GMNN O75496 1/20 0.40

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
SCHEMBL19762993 0.97 CYP1A1 (0.48) CYP1A1CYP1B1TOP1MEN1KMT2A
SCHEMBL19762994 0.97 TOP1 (0.47) CYP1A1CYP1B1TOP1MEN1KMT2A
SCHEMBL19486647 0.94 CYP1A1 (0.45) CYP1A1CYP1B1TOP1MEN1KMT2A
SCHEMBL25850574 0.94 TOP1 (0.50) TOP1MEN1KMT2AMAPTALDH1A1
SCHEMBL23075072 0.92 CYP1A1 (0.47) CYP1A1CYP1B1TOP1MEN1KMT2A
SCHEMBL19762981 0.92 CYP1A1 (0.50) CYP1A1CYP1B1TOP1MEN1KMT2A
SCHEMBL19762973 0.92 TOP1 (0.51) CYP1A1CYP1B1TOP1MEN1KMT2A
SCHEMBL19762930 0.92 TOP1 (0.51) CYP1A1CYP1B1TOP1MEN1KMT2A
SCHEMBL19762991 0.92 TOP1 (0.51) CYP1A1CYP1B1TOP1MEN1KMT2A
SCHEMBL26200013 0.92 TOP1 (0.51) CYP1A1CYP1B1TOP1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240244968-A1 ORGANIC LIGHT EMITTING ELEMENT AND DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244968-A1 ORGANIC LIGHT EMITTING ELEMENT AND DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed