SCHEMBL31126648

SCHEMBL31126648

COc1ccc(CN(C)c2cc(Cl)nc3c(C(=O)O[C@H](C)COCc4ccc(OC)c([N+](=O)[O-])c4)cnn23)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 9/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ BMP1 P13497 1/20 0.33
▸ LMNA P02545 4/20 0.33
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PTBP1 P26599 1/20 0.32
▸ THRB P10828 1/20 0.31

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
SCHEMBL31126644 0.81 TUBB4A (0.34) POLBALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL32670945 0.81 TUBB4A (0.34) POLBALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL31126646 0.80 MAPT (0.38) MAPTPOLBALDH1A1SMN1; SMN2BMP1
SCHEMBL23327454 0.77 MAPT (0.42) MAPTPOLBALDH1A1BMP1LMNA
SCHEMBL26098304 0.76 PTPN1 (0.49) MAPTPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL21811192 0.75 KDM4E (0.44) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL23327622 0.72 MAPT (0.39) MAPTPOLBALDH1A1BMP1LMNA
SCHEMBL31245696 0.70 KDM4E (0.42) MAPTPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL20689640 0.69 KDM4E (0.46) MAPTPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL29344675 0.68 ALDH1A1 (0.34) POLBALDH1A1SMN1; SMN2HTTKDM4E

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
EP-4692096-A1 MACROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Prime Gene Therapeutics Co., Ltd. (CN) 2026-02-11 — — EP disclosed
WO-2024199479-A1 MACROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2024-10-03 — — WO disclosed
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