SCHEMBL29956489

SCHEMBL29956489

O=Cc1ccncc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 15/20 0.50
KDM6B O15054 7/20 0.50
KDM4D Q6B0I6 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
KDM4A O75164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIRT3 Q9NTG7 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
APP P05067 1/20 0.39
GAA P10253 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL10526340 1.00 KDM4C (0.50) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL547927 0.84 KDM4C (0.55) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL16217237 0.82 TDP1 (0.43) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL9000661 0.78 KDM4C (0.44) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL7899172 0.78 ERN1 (0.38) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL14097049 0.78 NUDT1 (0.44) KDM4CKDM6BTDP1ALDH1A1KDM4E
SCHEMBL5834304 0.78 ALDH1A1 (0.56) TDP1ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL2560775 0.78 EIF4E (0.42) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL27185866 0.77 CYP11B1 (0.50) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL29416303 0.76 KDM4C (0.65) KDM4CKDM6BKDM4DTDP1ALDH1A1

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