SCHEMBL18504552

SCHEMBL18504552

NC(=O)c1cccc(Br)c1COc1ccn(O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
PARP1 P09874 5/20 0.33
PARP10 Q53GL7 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SYK P43405 1/20 0.32
MAPT P10636 1/20 0.32
TBXAS1 P24557 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.32
KDR P35968 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL18504497 0.89 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL18504577 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL18504291 0.88 NR1H4 (0.32) ALDH1A1
SCHEMBL22564388 0.86 POLB (0.35) POLBRAB9AAURKARPS6KB1PARP1
SCHEMBL18504848 0.86 KMT2A (0.33) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL18504583 0.86 ALDH1A1 (0.33) RAB9AALDH1A1MEN1KMT2AHDAC8
SCHEMBL18504651 0.85 KDM4E (0.42) POLBALDH1A1MEN1KMT2A
SCHEMBL18504975 0.85
SCHEMBL18504726 0.85 PARP1 (0.33) RAB9APARP1TBXAS1MEN1KMT2A
SCHEMBL18504774 0.85 KLKB1 (0.37) AURKARPS6KB1PARP1PARP10ALDH1A1

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
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed