SCHEMBL6236014

SCHEMBL6236014

COc1cc(OCc2c(F)cccc2Cl)cc(OC)c1C[C@H](N)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
AR P10275 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6234213 0.83 SMN1; SMN2 (0.38) GNRHRSMN1; SMN2GPBAR1KMT2AMEN1
SCHEMBL6236017 0.77 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1LMNAGAA
SCHEMBL6232175 0.73 AR (0.38) SMN1; SMN2GPBAR1KMT2AMEN1LMNA
SCHEMBL6238955 0.72 SMN1; SMN2 (0.47) SMN1; SMN2GPBAR1KMT2AMEN1LMNA
SCHEMBL6236466 0.71 SMN1; SMN2 (0.44) GNRHRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6234217 0.70 SMN1; SMN2 (0.49) SMN1; SMN2GPBAR1KMT2AMEN1LMNA
SCHEMBL6686194 0.70 MAOB (0.50) LMNA
SCHEMBL6686184 0.70 MAOB (0.50) LMNA
SCHEMBL12642510 0.69 KMT2A (0.48) GNRHRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6685101 0.68 CD274 (0.45) SMN1; SMN2KMT2AMEN1LMNAGAA

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