SCHEMBL7512958

SCHEMBL7512958

CC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.76
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
POLB P06746 2/20 0.61
ALDH1A1 P00352 9/20 0.54
MAPT P10636 8/20 0.54
TSHR P16473 2/20 0.51
HSD17B10 Q99714 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 1/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 3/20 0.47
GFER P55789 2/20 0.47
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL9816506 0.86 KDM4E (1.00) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL7505663 0.85 KDM4E (0.56) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL7505245 0.84 KMT2A (0.56) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL7507494 0.84 KMT2A (0.54) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL7507866 0.84 KDM4E (0.54) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL7515245 0.84 KDM4E (0.54) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL7514686 0.84 KDM4E (0.56) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL7512238 0.84 KDM4E (0.54) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL7503003 0.84 KDM4E (0.54) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL7508212 0.82 KDM4E (0.53) KDM4EKMT2AMEN1POLBALDH1A1

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
EP-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed