SCHEMBL29639142

SCHEMBL29639142

C=CCOc1ccc(NC(=O)c2ccc3nccnc3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.72
MAPT P10636 7/20 0.72
RAB9A P51151 7/20 0.72
GAA P10253 2/20 0.72
NPC1 O15118 8/20 0.67
TP53 P04637 2/20 0.67
POLB P06746 2/20 0.64
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
HTT P42858 2/20 0.63
HPGD P15428 3/20 0.61
PKM P14618 1/20 0.61
ALDH1A1 P00352 4/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CHRNB2 P17787 4/20 0.55
CHRNB4 P30926 4/20 0.55
CHRNA3 P32297 4/20 0.55

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
SCHEMBL28741234 1.00 SMN1; SMN2 (0.72) SMN1; SMN2MAPTRAB9AGAANPC1
SCHEMBL28741203 0.87 GAA (0.58) SMN1; SMN2MAPTRAB9AGAANPC1
SCHEMBL29639141 0.87 GAA (0.58) SMN1; SMN2MAPTRAB9AGAANPC1
SCHEMBL29639132 0.86 RAB9A (0.60) SMN1; SMN2MAPTRAB9AGAANPC1
SCHEMBL28741224 0.86 RAB9A (0.60) SMN1; SMN2MAPTRAB9AGAANPC1
SCHEMBL22192215 0.84 NPC1 (0.86) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL29639185 0.81 MAPT (0.57) SMN1; SMN2MAPTRAB9AGAANPC1
SCHEMBL28741188 0.81 MAPT (0.57) SMN1; SMN2MAPTRAB9AGAANPC1
SCHEMBL28741184 0.81 MAPT (0.57) SMN1; SMN2MAPTRAB9AGAANPC1
SCHEMBL28741227 0.81 RAB9A (0.72) SMN1; SMN2MAPTRAB9AGAANPC1

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