SCHEMBL18902248

SCHEMBL18902248

CN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.76
KMT2A Q03164 6/20 0.63
KDM4E B2RXH2 4/20 0.63
NPSR1 Q6W5P4 2/20 0.63
ALDH1A1 P00352 2/20 0.63
POLB P06746 1/20 0.63
GAA P10253 1/20 0.63
MEN1 O00255 3/20 0.62
ATM Q13315 2/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL5453561 0.89 KCNH2 (0.61) KCNH2KMT2AKDM4EALDH1A1POLB
SCHEMBL5453554 0.89 KCNH2 (0.61) KCNH2KMT2AKDM4EALDH1A1POLB
SCHEMBL17022020 0.87 KCNH2 (0.79) KCNH2KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL17021989 0.86 KCNH2 (0.72) KCNH2KMT2AKDM4EALDH1A1POLB
SCHEMBL2682306 0.86 KCNH2 (1.00) KCNH2KMT2AKDM4ENPSR1ALDH1A1
Hydrochloric Acid SCHEMBL17006318 0.86 KCNH2 (0.79) KCNH2KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL17022007 0.86 KCNH2 (0.66) KCNH2KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL16961281 0.86 KCNH2 (0.71) KCNH2KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL17021978 0.85 KCNH2 (0.80) KCNH2KMT2AKDM4ENPSR1ALDH1A1
Hydrochloric Acid SCHEMBL16961428 0.85 KCNH2 (0.72) KCNH2KMT2AKDM4EALDH1A1POLB

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
EP-2900674-B1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-05-31 EP disclosed