SCHEMBL6234213

SCHEMBL6234213

COc1cc(OCc2c(F)cccc2Cl)cc(OC)c1C[C@H](N)c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 1/20 0.38
GNRHR P30968 1/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
AR P10275 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6232175 0.90 AR (0.38) SMN1; SMN2GPBAR1KMT2AMEN1LMNA
SCHEMBL6236014 0.83 GNRHR (0.44) SMN1; SMN2GPBAR1KMT2AMEN1LMNA
SCHEMBL6234217 0.77 SMN1; SMN2 (0.49) SMN1; SMN2GPBAR1KMT2AMEN1LMNA
SCHEMBL6232179 0.71 SMN1; SMN2 (0.47) SMN1; SMN2GPBAR1KMT2AMEN1LMNA
SCHEMBL6238955 0.71 SMN1; SMN2 (0.47) SMN1; SMN2GPBAR1KMT2AMEN1LMNA
SCHEMBL6236017 0.70 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1LMNAPOLB
SCHEMBL6686184 0.69 MAOB (0.50) LMNA
SCHEMBL6686194 0.69 MAOB (0.50) LMNA
SCHEMBL6236466 0.69 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1LMNAGNRHR
SCHEMBL12642510 0.69 KMT2A (0.48) SMN1; SMN2KMT2AMEN1LMNAGNRHR

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