SCHEMBL22018668

SCHEMBL22018668

O=C(NCc1ccccc1)c1cc[n+](CCS(=O)(=O)[O-])nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HPGDS O60760 4/20 0.48
APOBEC3A P31941 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
NAMPT P43490 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALOX15 P16050 1/20 0.45
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL22018043 0.89 L3MBTL1 (0.47) CA2L3MBTL1ALDH1A1LMNANAMPT
SCHEMBL22018050 0.83 ALDH1A1 (0.47) APOBEC3AAPOBEC3GALDH1A1NAMPTKDM4E
SCHEMBL22018290 0.83 CA12 (0.41) CA2HPGDSALDH1A1LMNANAMPT
SCHEMBL22018673 0.83 APOBEC3A (0.52) L3MBTL1HPGDSAPOBEC3ACTDSP1APOBEC3G
SCHEMBL22018040 0.81 KDM4E (0.48) CA2L3MBTL1ALDH1A1NAMPTKDM4E
SCHEMBL22018656 0.80 KMT2A (0.42) CA2L3MBTL1ALDH1A1LMNANAMPT
SCHEMBL22018670 0.80 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL22018666 0.80 CA2 (0.50) CA2NAMPTKDM4E
SCHEMBL22018041 0.79 CA2 (0.44) CA2NAMPTPOLBHDAC2HDAC8
SCHEMBL22018325 0.78 NPC1 (0.44) L3MBTL1LMNAPOLBHDAC2HDAC8

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed