SCHEMBL7469842

SCHEMBL7469842

O=C(Nc1c(C(=O)O)[nH]c2ccccc12)c1cc2ccccc2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.55
MEN1 O00255 9/20 0.55
KDM4E B2RXH2 7/20 0.55
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 6/20 0.46
GAA P10253 6/20 0.46
HPGD P15428 5/20 0.46
GFER P55789 4/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL9816494 0.76 MAPT (0.70) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8707071 0.74 STING1 (0.48) EGLN1EGFR
SCHEMBL13201010 0.73 EGFR (0.75) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL1202261 0.72 MAOB (0.51) KMT2AMEN1KDM4EGAAHPGD
SCHEMBL9816506 0.72 KDM4E (1.00) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8541848 0.72 MEN1 (0.72) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3101441 0.72 MEN1 (0.63) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3107640 0.71 MAPT (0.63) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL6257175 0.71 KMT2A (0.69) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL27787411 0.70 MEN1 (0.60) KMT2AMEN1KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed