SCHEMBL7515245

SCHEMBL7515245

CC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(N)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.44
ALDH1A1 P00352 8/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PBRM1 Q86U86 1/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38

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
SCHEMBL7512238 0.90 KDM4E (0.54) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7505663 0.86 KDM4E (0.56) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7507494 0.85 KMT2A (0.54) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7503003 0.85 KDM4E (0.54) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7512958 0.84 KDM4E (0.76) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7508212 0.83 KDM4E (0.53) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7502875 0.82 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1PBRM1
SCHEMBL7502801 0.82 KIF11 (0.56) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7506070 0.82 KDM4E (0.51) KDM4EMEN1KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL7504806 0.82 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1PBRM1

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