SCHEMBL1746222

SCHEMBL1746222

Cc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)C/C2=N\OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.45
HSP90AB1 P08238 7/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PARP10 Q53GL7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER1 P34995 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1747434 1.00 HSP90AA1 (0.45) HSP90AA1HSP90AB1KMT2AMEN1PARP10
SCHEMBL1746224 1.00 HSP90AA1 (0.45) HSP90AA1HSP90AB1KMT2AMEN1PARP10
SCHEMBL1746006 0.87 HSP90AA1 (0.42) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL1219147 0.87 HSP90AA1 (0.42) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL1219145 0.87 HSP90AA1 (0.42) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL1221299 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL1221301 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL1745983 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL1745984 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL1747123 0.81 CA1 (0.40) HSP90AA1HSP90AB1KMT2APARP10ALDH1A1

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-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
EP-1856057-B1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX INC (US) 2014-10-15 EP disclosed
EP-2380879-A1 Tetrahydroindolone and tetrahydroindazolone derivatives Serenex, Inc. (US) 2011-10-26 EP disclosed
US-20110252835-A1 HEAT PUMP (SERVER) COUPLED WASHER AND DRYER PAIR WHIRLPOOL CORPORATION (US) 2011-10-20 US disclosed