SCHEMBL9953768

SCHEMBL9953768

O=C(C(=O)c1ccnc(Br)c1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.55
CES2 O00748 5/20 0.55
LTA4H P09960 1/20 0.46
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KMT2A Q03164 1/20 0.41
PTPN1 P18031 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM5A P29375 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 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
SCHEMBL4459279 0.85 CES2 (0.42) CES1CES2LTA4HKDM1AHDAC1
SCHEMBL4459277 0.85 CES2 (0.42) CES1CES2LTA4HKDM1AHDAC1
SCHEMBL3973933 0.82 CES1 (0.59) CES1CES2LTA4HKMT2ACA1
SCHEMBL14143257 0.80 CYP2C19 (0.38) CES1CES2LTA4HKDM1AHDAC1
SCHEMBL10080304 0.79 CES1 (0.55) CES1CES2LTA4HKMT2ACA1
SCHEMBL25263407 0.78 KDM1A (0.42) KDM1AHDAC1HDAC6PTPN1KDM5A
SCHEMBL6643878 0.78 LMNA (0.43) LTA4HPTPN1L3MBTL1KDM5AKDM2B
SCHEMBL3053668 0.75 LTA4H (0.76) CES1CES2LTA4HKMT2ACA1
SCHEMBL28786825 0.75 LMNA (0.47) LTA4HKDM1AHDAC1HDAC6KMT2A
SCHEMBL31191039 0.75 ACHE (0.41) KDM1AHDAC1HDAC6KDM5AKDM2B

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-2012084678-A1 NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-06-28 WO disclosed