SCHEMBL30456011

SCHEMBL30456011

[N-]=[N+]=NCCOCCOCCOCCN1C(=O)c2cccc(C(c3cccc4c3C(=O)N(CCOCCOCCOCCN=[N+]=[N-])C4=O)(C(F)(F)F)C(F)(F)F)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ ATM Q13315 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MGMT P16455 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ OGA O60502 1/20 0.32
▸ HEXA P06865 1/20 0.32
▸ HEXB P07686 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ABCG2 Q9UNQ0 4/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL29199650 0.80 HPGD (0.49) RAB9ANPC1KMT2AMGMTHPGD
SCHEMBL30455730 0.79 RAB9A (0.37) RAB9ANPC1ATMKMT2AMEN1
SCHEMBL14499669 0.79 HPGD (0.50) RAB9ANPC1KMT2AHPGDNPSR1
SCHEMBL26349212 0.78 MGMT (0.34) RAB9ANPC1KMT2AMEN1MGMT
SCHEMBL26349189 0.75 MGMT (0.42) RAB9ANPC1KMT2AMEN1MGMT
SCHEMBL15096386 0.72 CYP1B1 (0.53) NPC1KMT2AMEN1
SCHEMBL30455266 0.72 CYP1B1 (0.53) NPC1KMT2AMEN1
SCHEMBL30459062 0.72 CYP1B1 (0.53) NPC1KMT2AMEN1
SCHEMBL26349201 0.71 KDM4E (0.49) KMT2AMEN1MGMTHPGDNPSR1
SCHEMBL30459733 0.70 MGMT (0.39) MGMTABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192468-A2 HETEROARYL AND HETEROCYCLYL COMPOUNDS Sigilon Therapeutics, Inc. (US) 2023-06-14 — — EP disclosed
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