SCHEMBL28024499

SCHEMBL28024499

NCc1ccccc1OC(=O)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PARP1 P09874 1/20 0.46
PKM P14618 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL28024074 0.84 KMT2A (0.55) KMT2AALOX15NPSR1MAPTRAB9A
SCHEMBL27364543 0.83 KMT2A (0.58) KMT2AGAAUSP2ALOX15NPSR1
SCHEMBL14055345 0.78 KMT2A (0.59) KMT2AKDM4EGAAALDH1A1USP2
SCHEMBL21999712 0.78 KMT2A (0.70) KMT2AKDM4EGAAALDH1A1USP2
SCHEMBL14335116 0.78 KDM4E (0.59) KMT2AKDM4EGAAALDH1A1USP2
SCHEMBL9139340 0.75 KMT2A (0.57) KMT2AKDM4EGAAALDH1A1USP2
SCHEMBL10924560 0.75 KMT2A (0.47) KMT2AKDM4EGAAUSP2ALOX15
SCHEMBL28024056 0.75 ESR1 (0.55) KMT2AGAAALDH1A1NPSR1PKM
SCHEMBL21771872 0.74 KMT2A (0.56) KMT2AKDM4EGAAALDH1A1USP2
SCHEMBL22090951 0.74 KMT2A (0.56) KMT2AKDM4EGAAALDH1A1USP2

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-104884442-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 CN disclosed
CN-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 CN disclosed