SCHEMBL30455266

SCHEMBL30455266

[N-]=[N+]=NCCOCCOCCOCCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 17/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PABPC1 P11940 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL30459062 1.00 CYP1B1 (0.53) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL15096386 1.00 CYP1B1 (0.53) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL29936324 0.88 CYP1B1 (0.65) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL22164834 0.88 CYP1B1 (0.65) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL26349189 0.84 MGMT (0.42) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL29199650 0.82 HPGD (0.49) ALDH1A1NPC1MAPTKMT2A
SCHEMBL10262375 0.81 CYP1B1 (0.60) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL14499669 0.80 HPGD (0.50) ALDH1A1NPC1MAPTKMT2A
SCHEMBL15096384 0.80 MEN1 (0.57) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL10267887 0.77 CYP1B1 (0.68) CYP1B1ALDH1A1POLBKDM4EMEN1

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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