SCHEMBL6236909

SCHEMBL6236909

COc1cc(CNC(C)c2ncc(C)s2)ccc1OCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
NTRK2 Q16620 1/20 0.41
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PLK1 P53350 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPRZ1 P23471 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CTSA P10619 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6235284 0.89 PTPRZ1 (0.37) PTPRZ1FFAR4
SCHEMBL6231277 0.86 PTPRZ1 (0.41) NTRK1CSF1RNTRK2PTPRZ1CTSA
SCHEMBL6231703 0.86 LMNA (0.53) LMNARAB9ANPC1KMT2AMEN1
SCHEMBL6231706 0.86 LMNA (0.53) LMNARAB9ANPC1KMT2AMEN1
SCHEMBL6235743 0.85 PDCD1 (0.39) LMNARAB9ANPC1KMT2AMEN1
SCHEMBL6256021 0.85 PTPRZ1 (0.42) NTRK1CSF1RNTRK2PTPRZ1CTSA
SCHEMBL6232104 0.85 PTPRZ1 (0.42) NTRK1CSF1RNTRK2PTPRZ1CTSA
SCHEMBL6236884 0.80 SMN1; SMN2 (0.46) LMNARAB9ANPC1KMT2AMEN1
SCHEMBL6276107 0.80 MTNR1A (0.46) CSF1RLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6235475 0.80 MTNR1A (0.46) CSF1RLMNARAB9ANPC1SMN1; SMN2

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed