SCHEMBL27768660

SCHEMBL27768660

CCCCC(=O)NC(c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.75
POLB P06746 2/20 0.75
KDM1A O60341 1/20 0.74
KDM4E B2RXH2 7/20 0.73
LMNA P02545 6/20 0.73
TDP1 Q9NUW8 5/20 0.73
NPC1 O15118 5/20 0.73
KMT2A Q03164 5/20 0.73
MEN1 O00255 4/20 0.73
ALDH1A1 P00352 2/20 0.73
ALOX12 P18054 5/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
RAB9A P51151 6/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MITF O75030 1/20 0.70
ADAMTS5 Q9UNA0 3/20 0.69
HTT P42858 4/20 0.68
HSPA5 P11021 1/20 0.68
TP53 P04637 2/20 0.67
USP2 O75604 1/20 0.67

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
SCHEMBL2153092 0.95 KDM1A (0.81) HSP90AA1POLBKDM1AKDM4ELMNA
SCHEMBL30876565 0.95 KDM1A (0.81) HSP90AA1POLBKDM1AKDM4ELMNA
SCHEMBL23792594 0.94 HSP90AA1 (0.75) HSP90AA1POLBKDM1AKDM4ELMNA
SCHEMBL2153116 0.93 HSP90AA1 (0.76) HSP90AA1POLBKDM1AKDM4ELMNA
SCHEMBL2153202 0.91 ADAMTS5 (0.79) HSP90AA1POLBKDM1AKDM4ELMNA
SCHEMBL31672845 0.91 ADAMTS5 (0.79) HSP90AA1POLBKDM1AKDM4ELMNA
SCHEMBL27768644 0.91 HSP90AA1 (0.70) HSP90AA1POLBKDM1AKDM4ELMNA
SCHEMBL2153066 0.90 ALOX12 (0.86) HSP90AA1POLBKDM1AKDM4ELMNA
SCHEMBL30876632 0.89 HSP90AA1 (0.73) HSP90AA1POLBKDM1AKDM4ELMNA
SCHEMBL24634612 0.89 HSP90AA1 (0.73) HSP90AA1POLBKDM1AKDM4ELMNA

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