SCHEMBL29009181

SCHEMBL29009181

COc1ccc(NC(=O)C2CC(c3ccc(F)cc3)NC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.53
FPR1 P21462 1/20 0.53
MAP2K1 Q02750 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HTT P42858 1/20 0.45
MMP1 P03956 1/20 0.45
MMP13 P45452 1/20 0.45
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CACNA1H O95180 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL30466244 0.94 MAP2K1 (0.51) FPR2FPR1MAP2K1MAPTMEN1
SCHEMBL29009207 0.88 USP2 (0.57) MAP2K1MAPTMEN1KMT2AUSP2
SCHEMBL29009195 0.79 SLC6A3 (0.45) MMP1MMP13ALDH1A1
SCHEMBL29009179 0.79 MMP1 (0.50) MAPTMEN1KMT2AMMP1MMP13
SCHEMBL29009165 0.76 KDM4E (0.50) FPR2FPR1MAPTMEN1KMT2A
SCHEMBL29009180 0.73 ALDH1A1 (0.44) HTTMMP1MMP13KDM4ELMNA
SCHEMBL2171912 0.71 FPR2 (0.48) FPR2FPR1MAPTMAOAMAOB
SCHEMBL1375586 0.71 FPR2 (0.48) FPR2FPR1MAPTMAOAMAOB
SCHEMBL4921448 0.70 RAB9A (0.81) FPR2MAPTMEN1KMT2AMAOA
SCHEMBL30466251 0.69 CHRNA7 (0.48) MAP2K1MAPTHTTUSP2POLB

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