SCHEMBL29009191

SCHEMBL29009191

CN1C(=O)C(C(=O)O)=C(O)C1c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HIF1A Q16665 1/20 0.43
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL29009151 0.74 ALDH1A1 (0.45) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6521371 0.73 KMT2A (0.41) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL29009183 0.72 ALOX15 (0.48) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1225830 0.69 RXFP1 (0.40) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL9103921 0.69 RXFP1 (0.40) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28642735 0.67 KDM4E (0.46) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL16178557 0.65 TSHR (0.50) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1225559 0.63 P2RX7 (0.50) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1225931 0.63 P2RX7 (0.50) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL13254951 0.62 MEN1 (0.34) RXFP1MEN1KMT2AALDH1A1KDM4E

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-116217458-A 2-carbonyl-5-phenylpyrrole compound, preparation method, application and derivative thereof, and pharmaceutical composition 湖北民族大学 2023-06-06 CN disclosed