SCHEMBL20197204

SCHEMBL20197204

CCCCN(CCC)c1nccc(-c2nc(-c3ccc(N[S+]([O-])C(F)(F)F)cc3Cl)cs2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.33
ATP4B P51164 4/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BCL2 P10415 2/20 0.33
BCL2L1 Q07817 2/20 0.33
CRHR1 P34998 1/20 0.30

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
SCHEMBL16548466 0.84 SREBF2 (0.35) ATP4AATP4BLMNAMAPTRXFP1
SCHEMBL16535583 0.82 SREBF2 (0.36) ATP4AATP4BLMNAMAPTRXFP1
SCHEMBL20197304 0.80 CDK2 (0.39) MAPT
SCHEMBL20197238 0.76 CYP19A1 (0.44)
SCHEMBL20197223 0.74 SREBF2 (0.42) LMNAMAPT
SCHEMBL20197301 0.73 KDM4E (0.34) LMNAMAPT
SCHEMBL20197235 0.73 SREBF2 (0.42) LMNAMAPT
SCHEMBL20197159 0.73 CYP19A1 (0.33)
SCHEMBL20197337 0.71 CYP1A2 (0.40) MAPT
SCHEMBL20197443 0.71 C1S (0.39) MAPT

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-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed