Isoxazole

Isoxazole

SCHEMBL28611399

Cc1nc2cccc(C)c2[nH]1.c1cnoc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.43
TNKS2 Q9H2K2 1/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TYMS P04818 1/20 0.32
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
AR P10275 1/20 0.31
AHR P35869 1/20 0.31
ELANE P08246 2/20 0.31
ACVR1 Q04771 2/20 0.30
BMPR1B O00238 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
BMPR1A P36894 1/20 0.30

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
SCHEMBL31033488 0.83 PARP1 (0.56) PARP1TNKS2NPC1ALDH1A1HPGD
SCHEMBL353892 0.83 PARP1 (0.56) PARP1TNKS2NPC1ALDH1A1HPGD
Bromide SCHEMBL5318093 0.82 PARP1 (0.55) PARP1TNKS2NPC1ALDH1A1HPGD
Phosphoric Acid SCHEMBL30514699 0.74 PARP1 (0.51) PARP1TNKS2NPC1ALDH1A1HPGD
Hydrochlorthiazide SCHEMBL11538086 0.72 PARP1 (0.42) PARP1TNKS2NPC1ALDH1A1HPGD
Succinic Acid SCHEMBL28523841 0.71 PARP1 (0.47) PARP1TNKS2ALDH1A1HPGDRAB9A
Phenazine SCHEMBL27939577 0.68 PARP1 (0.62) PARP1NPC1ALDH1A1HPGDRAB9A
SCHEMBL6368182 0.68 PARP1 (0.47) PARP1TNKS2NPC1ALDH1A1HPGD
SCHEMBL5201662 0.67 KDM4E (0.46) PARP1NPC1ALDH1A1HPGDHTT
P-Xylene SCHEMBL12821697 0.66 PARP1 (0.65) PARP1NPC1ALDH1A1HPGDRAB9A

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-113215064-B Slime bacterium for producing meishadazole compounds and application thereof 山东大学 2022-04-12 CN disclosed
CN-113215064-A Slime bacterium for producing meishadazole compounds and application thereof 山东大学 2021-08-06 CN disclosed