SCHEMBL30997709

SCHEMBL30997709

O=C(O)c1ccncc1Sc1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.49
KDM6B O15054 5/20 0.49
KDM4E B2RXH2 4/20 0.49
KDM4D Q6B0I6 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4A O75164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 1/20 0.49
NAPRT Q6XQN6 3/20 0.44
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.41

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
Nitrous Acid SCHEMBL29269730 0.94 KDM4C (0.44) KDM4CKDM6BKDM4EKDM4DL3MBTL1
SCHEMBL30997725 0.84 ICAM1 (0.47) KDM4CKDM6BKDM4EKDM4DL3MBTL1
SCHEMBL30997714 0.83 PTGS1 (0.50) KDM4CKDM6BKDM4EKDM4DL3MBTL1
SCHEMBL21056657 0.83 PTGS1 (0.50) KDM4CKDM6BKDM4EKDM4DL3MBTL1
SCHEMBL30997722 0.81 KDM4C (0.55) KDM4CKDM6BKDM4EKDM4DL3MBTL1
SCHEMBL30997698 0.81 ALDH1A1 (0.48) KDM4CKDM6BKDM4EKDM4DL3MBTL1
SCHEMBL126695 0.80 POLB (0.59) KDM4EL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL30997717 0.80 KDM4C (0.46) KDM4CKDM6BKDM4EKDM4DL3MBTL1
SCHEMBL29269728 0.80 ALDH1A1 (0.36) KDM4CKDM6BKDM4EKDM4DL3MBTL1
Nitrous Acid SCHEMBL29269715 0.79 ICAM1 (0.44) KDM4CKDM6BKDM4EKDM4DL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317956-A Bis (hetero) aryl thioether oxadiazines as fungicidal compounds 拜耳公司 2024-07-09 CN disclosed