SCHEMBL23542935

SCHEMBL23542935

c1ccc(-c2nc(-c3nccc4ccccc34)c(-c3ccccc3)nc2-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ MAPT P10636 6/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ GLA P06280 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDO2 P48775 1/20 0.47
▸ CYP11B1 P15538 2/20 0.46
▸ CYP19A1 P11511 2/20 0.46
▸ CYP17A1 P05093 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45

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
SCHEMBL23542989 1.00 KDM4E (0.48) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL23542934 0.91 CYP11B1 (0.47) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL12215977 0.83 TDO2 (0.55) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL29355071 0.83 TDO2 (0.55) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL11976487 0.81 KDM4E (0.62) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL17413754 0.79 CYP11B1 (0.53) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL23542947 0.79 TDO2 (0.53) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL25066730 0.78 TGFBR1 (0.59) KMT2AGLATDO2CYP11B1ALDH1A1
SCHEMBL29398625 0.78 KDM4E (0.66) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL50715 0.78 KDM4E (0.66) KDM4ERAB9ANPC1L3MBTL1GPR55

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-20230057069-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device NOVALED GMBH (DE) 2023-02-23 — — US disclosed
EP-3840080-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2021-06-23 — — EP disclosed
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