SCHEMBL24345544

SCHEMBL24345544

CC(C)(C)OC(=O)NOCCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 16/20 0.55
▸ 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
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL23373769 0.86 MEN1 (0.51) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL3253838 0.85 CYP1B1 (0.57) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL17525438 0.84 CYP1B1 (0.51) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL12029011 0.83 SMN1; SMN2 (0.48) ALDH1A1POLBMEN1NPC1LMNA
SCHEMBL23843380 0.80 ALDH1A1 (0.60) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL21988061 0.78 CYP1B1 (0.58) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL10267887 0.77 CYP1B1 (0.68) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL12028798 0.76 SMN1; SMN2 (0.49) ALDH1A1MEN1MAPTKMT2AHDAC3
SCHEMBL22164834 0.76 CYP1B1 (0.65) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL29936324 0.76 CYP1B1 (0.65) 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
WO-2022056169-A1 COMPOSITIONS AND METHODS FOR DETECTING AN ABASIC SITE OF A NUCLEIC ACID ILLUMINA, INC (US) 2022-03-17 — — WO disclosed
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