SCHEMBL19902083

SCHEMBL19902083

Cc1ccc(NC(=O)Nc2sc3c(c2C(N)=O)CCN(CC2(C)CCC2)C3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.64
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
TLR2 O60603 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL17022045 0.93 KCNH2 (0.75) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL17021980 0.89 KCNH2 (0.78) KCNH2KMT2AKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL17006323 0.88 KCNH2 (0.78) KCNH2KMT2AKDM4EMEN1MAPT
Trifluoroacetic Acid SCHEMBL17006330 0.88 KCNH2 (0.67) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL17018737 0.86 KCNH2 (0.85) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL19902082 0.83 KCNH2 (0.68) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL19902053 0.83 KCNH2 (0.68) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL2682306 0.78 KCNH2 (1.00) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL17018735 0.78 KCNH2 (0.83) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL17006343 0.78 KCNH2 (0.83) KCNH2KMT2AKDM4EMEN1MAPT

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
US-9902738-B2 Compounds and methods for preventing, treating and/or protecting against sensory hair cell death UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-02-27 US disclosed