SCHEMBL18902191

SCHEMBL18902191

Cc1c(C2CCC(C)N2)sc(NC(=O)Nc2ccc(Cl)cc2)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.39
TNIK Q9UKE5 1/20 0.39
NFKB1 P19838 1/20 0.38

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
SCHEMBL18902219 0.82 KCNH2 (0.54) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL18902194 0.79 KCNH2 (0.59) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL17018784 0.78 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL17006378 0.78 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL18902179 0.77 KCNH2 (0.52) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL13235107 0.76 KMT2A (0.78) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL18902174 0.74 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL18902184 0.73 KCNH2 (0.37) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19807568 0.72 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL22624261 0.72 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19MEN1

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