SCHEMBL29639148

SCHEMBL29639148

C=CCOc1cccc(NC(=O)c2ccc3cccnc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.53
CHRNB2 P17787 4/20 0.50
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNA4 P43681 4/20 0.50
PLAU P00749 1/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
TRPV1 Q8NER1 1/20 0.48
POLB P06746 3/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46

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
SCHEMBL28741191 1.00 MEN1 (0.54) MEN1KMT2AGAACHRNB2CHRNB4
SCHEMBL28741198 0.93 RAB9A (0.55) MEN1KMT2AGAACHRNB2CHRNB4
SCHEMBL29639190 0.93 RAB9A (0.55) MEN1KMT2AGAACHRNB2CHRNB4
SCHEMBL29639141 0.89 GAA (0.58) MEN1KMT2AGAACHRNB2CHRNB4
SCHEMBL28741203 0.89 GAA (0.58) MEN1KMT2AGAACHRNB2CHRNB4
SCHEMBL29639182 0.84 GAA (0.65) MEN1KMT2AGAANPC1RAB9A
SCHEMBL3659551 0.82 GAA (0.56) MEN1KMT2AGAACHRNB2CHRNB4
SCHEMBL29639164 0.81 NPC1 (0.64) MEN1KMT2AGAANPC1RAB9A
SCHEMBL28741213 0.81 NPC1 (0.64) MEN1KMT2AGAANPC1RAB9A
SCHEMBL28741224 0.81 RAB9A (0.60) MEN1KMT2AGAACHRNB2CHRNB4

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