SCHEMBL28148326

SCHEMBL28148326

O=C(Nc1ncc([N+](=O)[O-])s1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.56
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.52
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MGLL Q99685 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MALT1 Q9UDY8 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PAK1 Q13153 1/20 0.47
▸ UBE2M P61081 1/20 0.46
▸ DCUN1D1 Q96GG9 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
SCHEMBL1553421 0.76 KMT2A (0.63) MEN1KMT2AMGLLALDH1A1RECQL
SCHEMBL28531603 0.75 SMN1; SMN2 (0.67) STAT3MEN1KMT2AATG4BRAB9A
SCHEMBL7298499 0.74 ALDH1A1 (0.70) MEN1KMT2ARAB9ASMN1; SMN2MGLL
SCHEMBL28518118 0.73 KMT2A (0.55) MEN1KMT2AATG4BRAB9ASMN1; SMN2
SCHEMBL28143104 0.73 ATG4B (0.52) MEN1KMT2AATG4BRAB9ASMN1; SMN2
SCHEMBL28573489 0.72 STAT3 (1.00) STAT3MEN1KMT2AATG4BRAB9A
SCHEMBL29908288 0.72 STAT3 (1.00) STAT3MEN1KMT2AATG4BRAB9A
Hydrochloric Acid SCHEMBL28535988 0.72 MEN1 (0.57) STAT3MEN1KMT2AATG4BRAB9A
SCHEMBL28524552 0.72 KMT2A (0.62) MEN1KMT2AATG4BRAB9ASMN1; SMN2
SCHEMBL28524547 0.71 ATG4B (0.62) STAT3MEN1KMT2AATG4BRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588911-B A kind of novel thiazole class compound XQH-3-6 of Streptococcus mutans and its application 山东大学 2019-01-18 — — CN claimed
CN-106588911-A Novel thiazole compound XQH-3-6 resisting streptococcus mutans and application of compound 山东大学 2017-04-26 — — CN claimed
CN-106588911-B A kind of novel thiazole class compound XQH-3-6 of Streptococcus mutans and its application 山东大学 2019-01-18 — — CN disclosed
CN-106588911-A Novel thiazole compound XQH-3-6 resisting streptococcus mutans and application of compound 山东大学 2017-04-26 — — CN disclosed
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