SCHEMBL31270677

SCHEMBL31270677

O=CNc1cc(C=O)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.58
KDM4E B2RXH2 2/20 0.57
PTGS2 P35354 2/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 5/20 0.47
ALDH5A1 P51649 3/20 0.47
ABAT P80404 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
TRIM24 O15164 1/20 0.47
HPGD P15428 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
EGFR P00533 2/20 0.43
AOX1 Q06278 1/20 0.43
XDH P47989 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APP P05067 1/20 0.36

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
SCHEMBL21160394 0.82 KDM4E (0.59) KDM5AKDM4EPTGS2RAB9AALDH1A1
SCHEMBL29953163 0.80 KDM4E (0.57) KDM5AKDM4EPTGS2RAB9AALDH1A1
SCHEMBL8245294 0.79 KDM5A (0.61) KDM5AKDM4EPTGS2RAB9AALDH1A1
SCHEMBL14532525 0.76 KDM5A (0.58) KDM5AHPGDPOLBTSHRMAPK1
SCHEMBL9423674 0.76 KDM5A (0.58) KDM5AKDM4EALDH1A1TDP1HPGD
SCHEMBL7684154 0.76 KDM4E (0.54) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL19595049 0.76 ALDH1A1 (0.56) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL29957610 0.76 KDM4E (0.54) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL28620707 0.75 KDM5A (0.55) KDM5AKDM4EPTGS2RAB9AALDH1A1
SCHEMBL22298702 0.74 ALDH1A1 (0.37) KDM5AKDM4EPTGS2RAB9AALDH1A1

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-119060893-A Preparation method and application of active substances from termite symbiotic actinomycetes 安徽农业大学 2024-12-03 CN disclosed