SCHEMBL29919334

SCHEMBL29919334

O[Ni]O.c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)cc3)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
RAB9A P51151 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ATM Q13315 1/20 0.71
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 3/20 0.65
KDM4E B2RXH2 2/20 0.65
HPGD P15428 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 1/20 0.65
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
MAPT P10636 1/20 0.60
BCHE P06276 4/20 0.57

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
SCHEMBL31170 0.92 NPC1 (0.81) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31476 0.90 NPC1 (0.79) NPC1RAB9AMEN1KMT2AATM
Methane SCHEMBL29265168 0.90 NPC1 (0.79) NPC1RAB9AMEN1KMT2AATM
SCHEMBL418564 0.87 BCHE (0.73) NPC1RAB9AMEN1KMT2AATM
SCHEMBL27281692 0.86 NPC1 (0.73) NPC1RAB9AMEN1KMT2AATM
SCHEMBL752483 0.86 NPC1 (0.73) NPC1RAB9AMEN1KMT2AATM
2-Phenylbenzo[D]Oxazole SCHEMBL31738605 0.86 NPC1 (0.72) NPC1RAB9AMEN1KMT2AATM
2-Phenylbenzo[D]Oxazole SCHEMBL2458370 0.86 NPC1 (0.72) NPC1RAB9AMEN1KMT2AATM
2-Phenylbenzo[D]Oxazole SCHEMBL29819732 0.86 NPC1 (0.72) NPC1RAB9AMEN1KMT2AATM
2-Phenylbenzo[D]Oxazole SCHEMBL29767802 0.86 NPC1 (0.72) NPC1RAB9AMEN1KMT2AATM

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-115295962-B Three-layer asymmetric diaphragm, and preparation method and application thereof 华中科技大学 2024-03-26 CN disclosed
CN-115295962-A Three-layer asymmetric diaphragm, preparation method and application thereof 华中科技大学 2022-11-04 CN disclosed