SCHEMBL22018325

SCHEMBL22018325

O=C(Nc1ccccc1O)c1cc[n+](CCS(=O)(=O)[O-])nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
HDAC1 Q13547 2/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RPS6KA3 P51812 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.38
TOP1 P11387 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL22017875 0.86 NPC1 (0.39) NPC1MEN1KMT2ATP53RAB9A
SCHEMBL22018050 0.85 ALDH1A1 (0.47) NPC1MEN1KMT2ARAB9AHDAC2
SCHEMBL28634617 0.79 CA2 (0.41) HTTHDAC2HDAC8HDAC6CA12
SCHEMBL22018668 0.78 CA2 (0.50) LMNAPOLBHDAC2HDAC8HDAC6
SCHEMBL22018290 0.77 CA12 (0.41) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL22018040 0.75 KDM4E (0.48) MEN1KMT2ATP53GAAPOLB
SCHEMBL22018046 0.75 LMNA (0.41) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL22018670 0.74 SMN1; SMN2 (0.44) NPC1MEN1KMT2ATP53RAB9A
SCHEMBL22018656 0.74 KMT2A (0.42) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL22018666 0.74 CA2 (0.50) KMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113329629-A Herbicidal compounds 先正达农作物保护股份公司 2021-08-31 CN disclosed
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed