SCHEMBL29639141

SCHEMBL29639141

C=CCOc1cccc(NC(=O)c2ccc3nccnc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
SMN1; SMN2 Q16637 6/20 0.55
RAB9A P51151 6/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 1/20 0.54
NPC1 O15118 7/20 0.54
TP53 P04637 2/20 0.54
ATM Q13315 1/20 0.53
HTT P42858 2/20 0.51
AHR P35869 1/20 0.50
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL28741203 1.00 GAA (0.58) GAASMN1; SMN2RAB9AMAPTMEN1
SCHEMBL29639148 0.89 MEN1 (0.54) GAASMN1; SMN2RAB9AMAPTMEN1
SCHEMBL28741191 0.89 MEN1 (0.54) GAASMN1; SMN2RAB9AMAPTMEN1
SCHEMBL28741198 0.88 RAB9A (0.55) GAARAB9AMAPTMEN1KMT2A
SCHEMBL29639190 0.88 RAB9A (0.55) GAARAB9AMAPTMEN1KMT2A
SCHEMBL28741234 0.87 SMN1; SMN2 (0.72) GAASMN1; SMN2RAB9AMAPTMEN1
SCHEMBL29639142 0.87 SMN1; SMN2 (0.72) GAASMN1; SMN2RAB9AMAPTMEN1
SCHEMBL29639182 0.85 GAA (0.65) GAASMN1; SMN2RAB9AMAPTMEN1
SCHEMBL29639136 0.82 MAPT (0.54) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL3659551 0.82 GAA (0.56) GAASMN1; SMN2RAB9AMAPTMEN1

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
CN-114436978-B Antifungal compound and application thereof 中国人民解放军海军军医大学 2024-06-18 CN disclosed
CN-114436978-A Antifungal compound and application 中国人民解放军海军军医大学 2022-05-06 CN disclosed