SCHEMBL29365189

SCHEMBL29365189

CCOC(=O)c1c(C)nc(-c2ccc(C3(C)CC3)cc2)nc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.68
▸ RAB9A P51151 5/20 0.68
▸ TP53 P04637 2/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ ALDH1A1 P00352 7/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ LMNA P02545 5/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ADORA3 P0DMS8 2/20 0.41
▸ CYP1A2 P05177 2/20 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
SCHEMBL22712515 1.00 KDM4E (0.68) KDM4ERAB9ATP53HSD17B10ALDH1A1
SCHEMBL22712525 0.92 KDM4E (0.54) KDM4ERAB9ATP53HSD17B10ALDH1A1
SCHEMBL22712501 0.86 KDM4E (0.49) KDM4ERAB9ATP53HSD17B10ALDH1A1
SCHEMBL26938200 0.86 KDM4E (0.49) KDM4ERAB9ATP53HSD17B10ALDH1A1
SCHEMBL29368588 0.86 KDM4E (0.49) KDM4ERAB9ATP53HSD17B10ALDH1A1
SCHEMBL22712476 0.84 KDM4E (0.53) KDM4ERAB9ATP53HSD17B10ALDH1A1
SCHEMBL22573316 0.82 KDM4E (0.76) KDM4ERAB9ATP53HSD17B10ALDH1A1
SCHEMBL22712437 0.78 ALDH1A1 (0.53) KDM4ERAB9ATP53HSD17B10ALDH1A1
SCHEMBL22712492 0.77 KDM4E (0.42) KDM4ERAB9ATP53HSD17B10ALDH1A1
SCHEMBL22712539 0.76 HSD17B10 (0.46) KDM4ERAB9ATP53HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215923-B Macrocyclic broad-spectrum antibiotics 豪夫迈·罗氏有限公司 2026-05-19 — — CN disclosed
CN-115215923-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-10-21 — — CN disclosed
CN-114007605-B Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-07-15 — — CN disclosed
CN-114007605-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-02-01 — — CN disclosed
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