SCHEMBL30779574

SCHEMBL30779574

Cc1cc(NC(=O)c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
GALR3 O60755 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.48
IGF1R P08069 2/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
ADAM17 P78536 1/20 0.43
POLB P06746 1/20 0.43
OPRK1 P41145 1/20 0.43
LMNA P02545 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
SCHEMBL21644679 1.00 SMN1; SMN2 (0.52) SMN1; SMN2HTTGALR3RAB9AMEN1
SCHEMBL28416795 0.86 HTT (0.52) SMN1; SMN2HTTGALR3RAB9AMEN1
SCHEMBL30779606 0.86 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21644587 0.86 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30779622 0.81 LRRK2 (0.48) SMN1; SMN2L3MBTL1
SCHEMBL21644624 0.81 LRRK2 (0.48) SMN1; SMN2L3MBTL1
SCHEMBL21644687 0.80 SGMS2 (0.62) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL30779582 0.80 SGMS2 (0.62) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL21644594 0.80 NPC1 (0.57) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL30779640 0.80 NPC1 (0.57) SMN1; SMN2RAB9AMEN1KMT2AGAA

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
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed