SCHEMBL22987172

SCHEMBL22987172

c1ccc(-c2cc(-c3cccc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c7ccccc67)nc(-c6ccccc6)n5)c4)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ HPGD P15428 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ NTSR1 P30989 1/20 0.46
▸ ADORA2A P29274 3/20 0.44
▸ ADORA1 P30542 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ MAOB P27338 5/20 0.40
▸ MAOA P21397 2/20 0.40
▸ MAPK1 P28482 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
SCHEMBL22308903 0.93 MEN1 (0.47) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL22309622 0.91 MEN1 (0.51) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL22309757 0.91 MEN1 (0.51) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL22308554 0.91 MEN1 (0.51) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL14426100 0.91 MEN1 (0.53) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL23841438 0.91 MEN1 (0.59) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL22113773 0.89 MEN1 (0.49) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL18623306 0.89 MEN1 (0.58) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL22309632 0.88 MEN1 (0.52) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL22309587 0.88 MEN1 (0.52) MEN1KMT2AHPGDMAPTALDH1A1

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
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 — — US disclosed
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