SCHEMBL9087828

SCHEMBL9087828

C=C/C=C/CNC(=O)c1ccccc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 5/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.37
APEX1 P27695 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL9087834 1.00 HPGD (0.48) HPGDCYP1A2ALDH1A1TP53L3MBTL1
SCHEMBL7870127 0.84 HPGD (0.66) HPGDCYP1A2ALDH1A1TP53L3MBTL1
SCHEMBL461826 0.84 HPGD (0.66) HPGDCYP1A2ALDH1A1TP53L3MBTL1
SCHEMBL9090113 0.84 TSHR (0.41) HPGDCYP1A2ALDH1A1TP53L3MBTL1
SCHEMBL9090123 0.84 TSHR (0.41) HPGDCYP1A2ALDH1A1TP53L3MBTL1
SCHEMBL8989837 0.83 HPGD (0.60) HPGDCYP1A2ALDH1A1TP53L3MBTL1
SCHEMBL28618627 0.83 HPGD (0.64) HPGDCYP1A2ALDH1A1TP53L3MBTL1
SCHEMBL6903284 0.75 TSHR (0.58) HPGDALDH1A1MAPTKDM4ETSHR
SCHEMBL8652703 0.74 TSHR (0.53) HPGDCYP1A2ALDH1A1MAPTKDM4E
SCHEMBL2129167 0.73 TSHR (0.47) HPGDALDH1A1L3MBTL1MAPTKDM4E

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
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
US-5508278-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed