SCHEMBL27875853

SCHEMBL27875853

FC(F)(F)c1cccc(NN2CCSCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
IDH2 P48735 2/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSC P53634 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
XBP1 P17861 1/20 0.42
TP53 P04637 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL1807928 0.85 MEN1 (0.56) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL31588115 0.81 IDH2 (0.48) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL6502465 0.81 IDH2 (0.56) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL30432445 0.81 LMNA (0.60) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL31587567 0.80 MEN1 (0.45) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL28533950 0.79 KMT2A (0.49) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL31587418 0.76 KMT2A (0.47) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL31587536 0.76 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL31587690 0.75 LMNA (0.42) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL4553592 0.74 CYP1A2 (0.36) L3MBTL1RAB9AALDH1A1LMNATDP1

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-102695416-A Kinase inhibitors GENOSCO 2012-09-26 CN claimed
CN-102695416-A Kinase inhibitors GENOSCO 2012-09-26 CN disclosed