SCHEMBL8041886

SCHEMBL8041886

FC(F)(F)c1cccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 6/20 0.45
TSHR P16473 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8033936 0.92 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TSHRNPSR1MAPT
SCHEMBL8048723 0.91 VCP (0.48) SMN1; SMN2ALDH1A1TSHRNPSR1MAPT
SCHEMBL8043200 0.87 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TSHRNPSR1MAPT
SCHEMBL8044812 0.85 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TSHRNPSR1MAPT
SCHEMBL8045341 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRNPSR1MAPT
SCHEMBL8033835 0.80 POLB (0.41) SMN1; SMN2ALDH1A1TSHRNPSR1MAPT
SCHEMBL8052209 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TSHRNPSR1MAPT
SCHEMBL8037043 0.79 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TSHRNPSR1MAPT
SCHEMBL8043675 0.79 KIT (0.39) ALDH1A1POLBHSD17B10L3MBTL1TDP1
SCHEMBL8044443 0.78 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRNPSR1MAPT

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed