SCHEMBL4034449

SCHEMBL4034449

CC(=O)Nc1ccccc1-c1cc(Cl)c2cccnc2c1O.COc1ncccc1-c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 3/20 0.48
TOP2A P11388 1/20 0.48
HSP90AA1 P07900 3/20 0.48
ALOX12 P18054 5/20 0.47
NCOA3 Q9Y6Q9 2/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADAMTS5 Q9UNA0 2/20 0.45
NCOA1 Q15788 1/20 0.45
TP53 P04637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15B O15296 1/20 0.44
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL28781361 0.92 L3MBTL1 (0.57) NPC1RAB9AL3MBTL1KMT2AHSP90AA1
SCHEMBL4036371 0.87 KMT2A (0.57) NPC1RAB9AL3MBTL1KMT2AHSP90AA1
SCHEMBL6051170 0.74 KDM4E (0.77) NPC1RAB9AL3MBTL1KMT2AHSP90AA1
SCHEMBL8345688 0.72 HSP90AA1 (0.60) NPC1RAB9AL3MBTL1KMT2AHSP90AA1
SCHEMBL4037194 0.72 NPC1 (0.81) NPC1RAB9AL3MBTL1KMT2AHSP90AA1
SCHEMBL4040116 0.72 KDM4E (0.64) NPC1RAB9AL3MBTL1KMT2AHSP90AA1
SCHEMBL50243 0.72 MEN1 (0.55) NPC1RAB9AKMT2AATMMEN1
SCHEMBL30365402 0.71 TOP2A (0.57) RAB9AL3MBTL1KMT2ATOP2AATM
SCHEMBL8345105 0.70 KDM4E (0.60) L3MBTL1KMT2AHSP90AA1ALOX12MEN1
SCHEMBL16171231 0.70 TOP2A (0.86) L3MBTL1KMT2ATOP2AATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO claimed