SCHEMBL20197342

SCHEMBL20197342

Cc1noc(C)c1-c1nc(-c2ccc(NSC(F)(F)F)cc2Cl)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KDM4E B2RXH2 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP1B1 Q16678 3/20 0.34
CYP1A1 P04798 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
C1S P09871 1/20 0.33
AR P10275 1/20 0.33
AMY1A P0DUB6 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 2/20 0.32

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
SCHEMBL16535634 0.83 LMNA (0.38) LMNATHRBMAPTL3MBTL1KMT2A
SCHEMBL20197278 0.78 CNR2 (0.39) LMNAMAPTSMN1; SMN2HTTKDM4E
SCHEMBL20197302 0.78 SMN1; SMN2 (0.46) LMNAMAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL20197336 0.78 CYP19A1 (0.46) LMNAMAPTL3MBTL1KMT2AGAA
SCHEMBL20197318 0.78 EIF4E (0.46) SMN1; SMN2KDM4ECYP1A2CYP1B1CYP1A1
SCHEMBL20197228 0.77 CYP1A1 (0.42) LMNAMAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL20197472 0.75 CYP1B1 (0.36) LMNAMAPTKMT2ASMN1; SMN2HTT
SCHEMBL20197440 0.74 KDM4E (0.36) LMNAMAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL20197240 0.74 ALDH1A1 (0.53) MAPTKMT2AGAASMN1; SMN2HTT
SCHEMBL20197218 0.74 MAPT (0.36) LMNAMAPTL3MBTL1SMN1; SMN2KDM4E

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