SCHEMBL20197301

SCHEMBL20197301

CSNc1cc(-c2nc(-c3ccc(N[S+]([O-])C(F)(F)F)cc3Cl)cs2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
CRHBP P24387 1/20 0.34
RAB9A P51151 1/20 0.34
CRHR2 Q13324 1/20 0.34
EIF4E P06730 7/20 0.33
C1S P09871 1/20 0.33
CDK5 Q00535 3/20 0.32
CDK5R1 Q15078 3/20 0.32
SREBF2 Q12772 4/20 0.32
CYP19A1 P11511 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA2 Q15596 1/20 0.31

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
SCHEMBL20197238 0.86 CYP19A1 (0.44) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20197223 0.81 SREBF2 (0.42) KDM4ESREBF2LMNAMAPTATM
SCHEMBL20197368 0.81 MAPK14 (0.35) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20197235 0.80 SREBF2 (0.42) KDM4ESREBF2LMNAMAPTATM
SCHEMBL20197304 0.79 CDK2 (0.39) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20197337 0.77 CYP1A2 (0.40) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20197481 0.76 EIF4E (0.37) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20197479 0.76 EIF4E (0.39) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20197159 0.76 CYP19A1 (0.33) KDM4ESMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20197222 0.76 KDM4E (0.37) KDM4ESMN1; SMN2NPC1CRHBPRAB9A

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