SCHEMBL31126646

SCHEMBL31126646

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)O[C@H](C)COCc4ccc(OC)c([N+](=O)[O-])c4)cnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ BMP1 P13497 1/20 0.37
▸ ALDH1A1 P00352 8/20 0.34
▸ LMNA P02545 5/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTBP1 P26599 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ GALR3 O60755 1/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL32670946 0.80 CSF1R (0.31) —
SCHEMBL31126645 0.80 CSF1R (0.31) —
SCHEMBL31126648 0.80 MAPT (0.36) MAPTPOLBBMP1ALDH1A1LMNA
SCHEMBL16794693 0.76 MAPT (0.42) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL16794676 0.75 PDE1B (0.40) ALDH1A1SMN1; SMN2HTTRAB9AKMT2A
SCHEMBL18161034 0.75 PDE1B (0.41) ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL16812355 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL16812352 0.75 PDE1B (0.38) MAPTPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL24263381 0.74 PDE1B (0.39) ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL16812486 0.73 NPC1 (0.40) MAPTPOLBALDH1A1SMN1; SMN2TP53

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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