SCHEMBL18902219

SCHEMBL18902219

NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1C1CCC2N1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 2/20 0.54
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL19807568 0.83 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL21702872 0.83 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL18231280 0.83 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL22624261 0.83 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL18231284 0.83 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL17018784 0.83 KCNH2 (0.49) KCNH2CYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL18902191 0.82 KCNH2 (0.48) KCNH2CYP2C9CYP2C19CYP3A4KMT2A
Hydrochloric Acid SCHEMBL17969203 0.82 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4KMT2A
Hydrochloric Acid SCHEMBL17006378 0.82 KCNH2 (0.50) KCNH2CYP2C9CYP2C19CYP3A4KMT2A
Hydrochloric Acid SCHEMBL17969204 0.75 KCNH2 (0.49) KCNH2CYP2C9CYP2C19CYP3A4KMT2A

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