SCHEMBL7975321

SCHEMBL7975321

Cc1ccc(C)c(NC(=O)OCCSc2cccc(CSc3nc4ccccc4[nH]3)c2C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.48
PTPN1 P18031 1/20 0.47
LMNA P02545 8/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPK1 P28482 1/20 0.46
MPO P05164 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
NTRK1 P04629 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7963992 0.93 AR (0.50) ARPTPN1LMNASMN1; SMN2MAPK1
SCHEMBL7964041 0.89 POLB (0.47) ARLMNASMN1; SMN2MAPK1MPO
SCHEMBL7964013 0.88 AR (0.46) ARPTPN1LMNASMN1; SMN2MAPK1
SCHEMBL7974397 0.87 SMN1; SMN2 (0.50) ARLMNASMN1; SMN2MAPK1MPO
SCHEMBL7980183 0.86 AR (0.46) ARLMNASMN1; SMN2MAPK1MPO
SCHEMBL7974453 0.86 NPC1 (0.50) ARLMNASMN1; SMN2NPC1RAB9A
SCHEMBL7977629 0.85 SMN1; SMN2 (0.48) ARLMNASMN1; SMN2MPONPC1
SCHEMBL7964021 0.85 LMNA (0.47) ARLMNASMN1; SMN2MAPK1MPO
SCHEMBL7975339 0.85 AR (0.49) ARLMNASMN1; SMN2MAPK1MPO
SCHEMBL7974465 0.85 LMNA (0.47) ARLMNASMN1; SMN2MAPK1MPO

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed