SCHEMBL7513253

SCHEMBL7513253

CC(C)(C)C(=O)c1[nH]c2cc(Cl)ccc2c1N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GPR17 Q13304 1/20 0.44
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7501070 0.83 ALOX15 (0.53) ALOX15KDM4EGAAUSP2ALDH1A1
SCHEMBL8050911 0.82 ALOX15 (0.51) ALOX15KDM4EGAAUSP2ALDH1A1
SCHEMBL4333071 0.81 GPR17 (0.58) KDM4EHPGDGPR17KMT2A
SCHEMBL8538872 0.79 KDM4E (0.70) ALOX15KDM4EGAAUSP2ALDH1A1
SCHEMBL7503275 0.79 ALOX15 (0.59) ALOX15GPR17
SCHEMBL7507314 0.78 KDM4E (0.47) ALOX15KDM4EGAAALDH1A1MAPT
SCHEMBL14174311 0.76 ALOX15 (0.70) ALOX15KDM4EGAAALDH1A1MAPT
SCHEMBL6949254 0.75 MEN1 (0.49) ALOX15KDM4EHPGDGPR17KMT2A
SCHEMBL6953887 0.74 ALOX15 (0.50) ALOX15GPR17
SCHEMBL13758133 0.74 KMT2A (0.44) ALOX15KDM4EGAAUSP2ALDH1A1

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