SCHEMBL29954805

SCHEMBL29954805

OB(O)c1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
PDPK1 O15530 1/20 0.52
CYP3A4 P08684 1/20 0.52
IDO1 P14902 4/20 0.48
ALDH1A1 P00352 2/20 0.48
ALPL P05186 1/20 0.48
HPGD P15428 1/20 0.48
TTK P33981 1/20 0.48
MAPK10 P53779 1/20 0.48
MAP2K4 P45985 2/20 0.46
CYP1A2 P05177 1/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
YTHDC1 Q96MU7 1/20 0.43
STAT3 P40763 1/20 0.43
HIF1A Q16665 1/20 0.43
FADS1 O60427 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42

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
SCHEMBL63074 1.00 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1101791 0.83 KDM4E (0.56) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL27158631 0.73 MAP2K4 (0.53) KDM4EGAAALDH1A1HPGDMAP2K4
SCHEMBL476840 0.72 KDM4E (0.39) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL276725 0.71 KDM4E (0.58) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL25346553 0.71 KMT2A (0.39) KDM4ELRRK2CDK2AURKA
SCHEMBL27728321 0.71 RARG (0.50) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1672674 0.70 IDO1 (0.78) KDM4EGAAPDPK1CYP3A4IDO1
Hydrochloric Acid SCHEMBL28343698 0.70 KDM4E (0.56) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL29481432 0.69 PDPK1 (1.00) KDM4EGAAPDPK1CYP3A4IDO1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed