SCHEMBL20197203

SCHEMBL20197203

CC(C)Cn1cc(-c2nc(-c3ccc(NSC(F)(F)F)cc3Cl)cs2)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
EIF4E P06730 12/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL16535716 0.86 PPARA (0.38) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL22152727 0.77 SREBF2 (0.43) KDM4ELMNAMAPTALDH1A1
SCHEMBL20197302 0.77 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL20197240 0.75 ALDH1A1 (0.53) KDM4ESMN1; SMN2NPC1RAB9AMEN1
SCHEMBL20197292 0.74 SMN1; SMN2 (0.33) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL20197471 0.73 C1S (0.35) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL20197440 0.73 KDM4E (0.36) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL20197221 0.73 SREBF2 (0.55) KDM4ELMNAMAPTALDH1A1
SCHEMBL20197336 0.72 CYP19A1 (0.46) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL20197228 0.72 CYP1A1 (0.42) KDM4ESMN1; SMN2NPC1RAB9ACRHBP

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