SCHEMBL27387977

SCHEMBL27387977

CC(=O)Nc1cc(Br)cc([As](=O)(O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PHPT1 Q9NRX4 1/20 0.46
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MEN1 O00255 3/20 0.34

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
SCHEMBL28155737 0.83 PKM (0.54) PKMLMNAPOLBSMN1; SMN2PHPT1
SCHEMBL27303744 0.82 LMNA (0.59) PKMLMNAPOLBSMN1; SMN2PHPT1
SCHEMBL11594811 0.78 TDP1 (0.48) LMNAPOLBKMT2AALDH1A1RXFP1
Butanone SCHEMBL27635503 0.76 PKM (0.43) PKMLMNAPOLBSMN1; SMN2PHPT1
SCHEMBL28536748 0.75 GPR35 (0.43) POLBALDH1A1MAPTRAB9ANPC1
SCHEMBL28667961 0.75 ALDH1A1 (0.49) LMNAPOLBKMT2AALDH1A1RXFP1
SCHEMBL29447275 0.75 GPR35 (0.43) POLBALDH1A1MAPTRAB9ANPC1
SCHEMBL27257859 0.73 PKM (0.50) PKMLMNAPOLBSMN1; SMN2PHPT1
Benzene SCHEMBL28189396 0.72 PKM (0.49) PKMLMNAPOLBSMN1; SMN2PHPT1
Water SCHEMBL27263748 0.72 PKM (0.49) PKMLMNAPOLBSMN1; SMN2PHPT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1213144-C Recombination nucleic acid molecule and application thereof REGENT OF UNIV OF CALIFORNIA (US) 2005-08-03 — — CN disclosed
CN-1066731-C Substrates for beta-lactamases and uses thereof UNIV CALIFORNIA (US) 2001-06-06 — — CN disclosed
CN-1296078-A Recombination nucleic acid molecule and application thereof REGENT OF UNIV OF CALIFORNIA (US) 2001-05-23 — — CN disclosed
CN-1184479-A Substrates for beta-lactamases and uses thereof UNIV CALIFORNIA (US) 1998-06-10 — — CN disclosed
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