SCHEMBL22341059

SCHEMBL22341059

N=C(C=O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ GSK3B P49841 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ OGG1 O15527 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ RECQL P46063 2/20 0.38

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
SCHEMBL28195663 0.78 LMNA (0.48) CES2CA1CA2CYP1A2LMNA
SCHEMBL27274072 0.74 C1S (0.57) LMNARAB9AMAPTALDH1A1HPGD
SCHEMBL3045890 0.73 ALDH1A1 (0.58) CES2CES1CA1CA2GSK3B
SCHEMBL28066941 0.71 CES2 (0.48) CES2CES1CA1CA2GSK3B
Water SCHEMBL28480633 0.71 ALDH1A1 (0.56) CES2CES1CA1CA2GSK3B
Formic Acid SCHEMBL27583412 0.70 CYP2A6 (0.57) CES2CES1CA1CA2GSK3B
SCHEMBL2712830 0.70 CES2 (0.46) CES2CES1CA1CA2GSK3B
SCHEMBL27986961 0.70 CES2 (0.46) CES2CES1CA1CA2GSK3B
SCHEMBL2712831 0.70 CES2 (0.46) CES2CES1CA1CA2GSK3B
SCHEMBL4862898 0.68 CES2 (0.44) CES2CES1CA1CA2GSK3B

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-2020163248-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2020-08-13 — — WO disclosed
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