SCHEMBL21723595

SCHEMBL21723595

CCOC(=O)c1cc(-n2nc(SCC(F)(F)F)nc2N)c(F)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
CSNK1D P48730 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
PPOX P50336 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34

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
SCHEMBL21723214 0.79 JMJD6 (0.39) KDM4ENPC1SMN1; SMN2JMJD6CSNK1D
SCHEMBL21723244 0.76 JMJD6 (0.41) KDM4ENPC1SMN1; SMN2JMJD6CSNK1D
SCHEMBL21723192 0.74 JMJD6 (0.40) KDM4ENFKB1NFKB2RELAJMJD6
SCHEMBL3027169 0.70 LMNA (0.43) KDM4ERAB9ANPC1SMN1; SMN2JMJD6
SCHEMBL14706778 0.70 ALDH1A1 (0.36) SMN1; SMN2TSHRKMT2AMAPTALDH1A1
SCHEMBL3026867 0.70 ALDH1A1 (0.38) KDM4ERAB9ANPC1NFKB1NFKB2
SCHEMBL21723239 0.70 ALDH1A1 (0.38) KDM4ERAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL3021431 0.70 SMN1; SMN2 (0.37) KDM4ERAB9ANPC1SMN1; SMN2JMJD6
SCHEMBL21723199 0.69 GPR52 (0.33)
SCHEMBL3016633 0.69 KDM4E (0.36) KDM4ERAB9ANPC1SMN1; SMN2NFKB1

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-2020036133-A1 3-(1H-1,2,4-TRIAZOLE-1-YL) BENZOIC ACID AMIDE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT クミアイ化学工業株式会社 2020-02-20 WO disclosed