SCHEMBL899254

SCHEMBL899254

c1ccc(CN(c2ccccc2)c2nccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PDPK1 O15530 1/20 0.43
KCNA3 P22001 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
TSHR P16473 3/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 2/20 0.39
NR3C2 P08235 1/20 0.39
GLA P06280 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PLA2G4A P47712 1/20 0.37

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
SCHEMBL8145854 0.83 ALDH1A1 (0.52) FFAR1FFAR4PDPK1SCN1ASCN2A
Hydrochloric Acid SCHEMBL27988328 0.81 ALDH1A1 (0.51) FFAR1FFAR4PDPK1SCN1ASCN2A
SCHEMBL30514163 0.81 PDPK1 (0.44) FFAR1FFAR4PDPK1SCN1ASCN2A
SCHEMBL11589924 0.80 PTGS2 (0.41) FFAR1FFAR4TSHRLMNABLM
SCHEMBL11380601 0.80 FFAR1 (0.44) FFAR1FFAR4PDPK1SCN1ASCN2A
SCHEMBL5451515 0.79 KDM4E (0.50) PDPK1SCN1ASCN2ASCN3ATSHR
SCHEMBL27812591 0.78 FFAR1 (0.51) FFAR1FFAR4PDPK1SCN1ASCN2A
Bromide SCHEMBL27812103 0.76 FFAR1 (0.50) FFAR1FFAR4PDPK1SCN1ASCN2A
SCHEMBL9305341 0.76 PDPK1 (0.45) FFAR1FFAR4PDPK1TSHRCYP2D6
SCHEMBL24692817 0.76 PDPK1 (0.40) FFAR1FFAR4PDPK1SCN1ASCN2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed