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Sugi Predict / Compounds / SCHEMBL21537209

SCHEMBL21537209

SCHEMBL21537209

CC(C)(C)c1ccc(N(c2ccc(-c3cc4c5c(ccc6c7c(-c8ccc(N(c9ccc(C(C)(C)C)cc9)c9ccc(C(C)(C)C)cc9)cc8)cc8c9c(ccc(c3c56)c97)C(=O)N(c3ccccc3)C8=O)C(=O)N(c3ccccc3)C4=O)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ USP2 O75604 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CA9 Q16790 3/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL21536930 0.98 KMT2A (0.38) KMT2AUSP2MEN1CA9CA12
SCHEMBL21537154 0.94 KMT2A (0.36) KMT2AUSP2MEN1CA9CA12
SCHEMBL21536928 0.90 KMT2A (0.42) KMT2AUSP2MEN1CA9CA12
SCHEMBL21537206 0.84 CA9 (0.39) KMT2AUSP2MEN1CA9CA12
SCHEMBL21537210 0.81 CA9 (0.41) KMT2AUSP2MEN1CA9CA12
SCHEMBL21537247 0.81 GPR84 (0.34) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21536898 0.81 CA9 (0.40) KMT2AUSP2MEN1CA9CA12
SCHEMBL21536924 0.79 GPR84 (0.33) ALDH1A1MAPTRAB9AL3MBTL1NPC1
SCHEMBL14706341 0.74 KMT2A (0.41) KMT2AUSP2MEN1CA9CA12
SCHEMBL21536909 0.73 ESR1 (0.49) KMT2AUSP2MEN1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11696500-B2 Organic electroluminescent element, display device, illumination device, and pi-conjugated compound MERCK PATENT GMBH (DE) 2023-07-04 — — US disclosed
US-11696500-B2 Organic electroluminescent element, display device, illumination device, and pi-conjugated compound MERCK PATENT GMBH (DE) 2023-07-04 — — US disclosed
US-20190334097-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATION DEVICE, AND PI-CONJUGATED COMPOUND UDC IRELAND LIMITED (IE) 2019-10-31 — — US disclosed
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