SCHEMBL27768652

SCHEMBL27768652

CC(=O)NC(c1ccc(CN)cc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.78
RAB9A P51151 6/20 0.78
HSP90AA1 P07900 2/20 0.78
POLB P06746 1/20 0.78
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.68
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ALOX12 P18054 6/20 0.66
KDM4E B2RXH2 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
NCOA3 Q9Y6Q9 1/20 0.62
ADAMTS5 Q9UNA0 7/20 0.61
KDM1A O60341 1/20 0.60

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
SCHEMBL27790154 0.89 KDM1A (0.75) NPC1RAB9AHSP90AA1POLBKMT2A
SCHEMBL2153766 0.89 NPC1 (0.86) NPC1RAB9AHSP90AA1POLBKMT2A
SCHEMBL27790128 0.89 NPC1 (0.86) NPC1RAB9AHSP90AA1POLBKMT2A
SCHEMBL4035597 0.89 NPC1 (0.86) NPC1RAB9AHSP90AA1POLBKMT2A
SCHEMBL2153059 0.88 NPC1 (1.00) NPC1RAB9AHSP90AA1POLBKMT2A
SCHEMBL1811300 0.87 NPC1 (1.00) NPC1RAB9AHSP90AA1POLBKMT2A
SCHEMBL27768644 0.87 HSP90AA1 (0.70) NPC1RAB9AHSP90AA1POLBKMT2A
SCHEMBL4037950 0.86 NPC1 (0.85) NPC1RAB9AHSP90AA1POLBKMT2A
Hydrochloric Acid SCHEMBL4037672 0.85 NPC1 (0.84) NPC1RAB9AHSP90AA1POLBKMT2A
SCHEMBL2153962 0.85 NPC1 (0.79) NPC1RAB9AHSP90AA1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN claimed