SCHEMBL19992829

SCHEMBL19992829

FC(F)(F)c1cccc(-c2ccc(I)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.57
MAOB P27338 4/20 0.57
IDO1 P14902 1/20 0.53
SCN2A Q99250 2/20 0.48
KMO O15229 2/20 0.47
CTSS P25774 1/20 0.47
MAOA P21397 2/20 0.46
DHODH Q02127 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GABRA1 P14867 1/20 0.45
HPGD P15428 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1416558 0.85 KDM1A (0.61) KDM1AMAOBIDO1SCN2AKMO
SCHEMBL6236148 0.82 KDM1A (0.58) KDM1AMAOBIDO1SCN2AKMO
SCHEMBL6234240 0.81 KDM1A (0.64) KDM1AMAOBIDO1SCN2AKMO
SCHEMBL10093051 0.81 DHODH (0.57) KDM1AMAOBIDO1SCN2AKMO
SCHEMBL6240438 0.81 KDM1A (0.57) KDM1AMAOBIDO1SCN2AKMO
SCHEMBL6235013 0.81 KDM1A (0.57) KDM1AMAOBIDO1SCN2AKMO
SCHEMBL26566412 0.79 KDM1A (0.56) KDM1AMAOBIDO1SCN2AKMO
SCHEMBL6863681 0.78 HPGDS (0.56) IDO1KMOKDM4EPIM1
SCHEMBL4591309 0.77 MAOB (0.53) KDM1AMAOBIDO1SCN2AKMO
SCHEMBL4592034 0.77 KDM1A (0.53) KDM1AMAOBIDO1SCN2AKMO

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-2018051252-A2 NOVEL AMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND MITICIDE INSECTICIDES (INDIA) LIMITED (IN) 2018-03-22 WO disclosed