SCHEMBL10940902

SCHEMBL10940902

COC(=O)c1c(C(C)=O)ccn1C.c1cc2cc-2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.43
KDM4E B2RXH2 1/20 0.40
LIPG Q9Y5X9 1/20 0.38
BRD4 O60885 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.36
RECQL P46063 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
SCHEMBL10940107 0.88 NR4A2 (0.46) NR4A2KDM4ELIPGBRD4GABRA1
SCHEMBL10940677 0.83 BRD4 (0.43) LIPGBRD4ALDH1A1MAPTGAA
SCHEMBL25072433 0.79 KDM4E (0.46) NR4A2KDM4EBRD4ALDH1A1MAPT
SCHEMBL10940971 0.77 ACMSD (0.42) LIPGBRD4CYP1A2MEN1ALDH1A1
SCHEMBL28554392 0.76 KDM4E (0.44) NR4A2KDM4EBRD4GABRA1GABRG2
SCHEMBL10940510 0.73 NR4A2 (0.44) NR4A2KDM4EBRD4GABRA1GABRG2
SCHEMBL17700915 0.71 KDM4E (0.45) NR4A2KDM4EBRD4CYP1A2PKM
SCHEMBL11455034 0.70 CDC25B (0.50) NR4A2KDM4EBRD4MEN1ALDH1A1
Acetic Acid Methyl Ester SCHEMBL5167069 0.69 ALDH1A1 (0.50) CYP1A2CYP2C19MEN1ALDH1A1MAPT
SCHEMBL9826739 0.69 KDM4E (0.46) NR4A2KDM4EBRD4MEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed