SCHEMBL8048723

SCHEMBL8048723

FC(F)(F)c1cccc(-n2nnnc2Sc2nc(-c3ccc(Cl)cc3)cs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.48
KDM1A O60341 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
FAAH O00519 1/20 0.42
ALOX5 P09917 2/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 2/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL8041886 0.91 SMN1; SMN2 (0.45) NPC1RAB9AL3MBTL1HTTMEN1
SCHEMBL8033936 0.89 ALDH1A1 (0.42) L3MBTL1HTTMEN1KMT2ACYP1A2
SCHEMBL8041897 0.84 ALDH1A1 (0.47) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8045341 0.81 ALDH1A1 (0.49) L3MBTL1HTTKMT2ACYP1A2LMNA
SCHEMBL8043200 0.81 ALDH1A1 (0.43) L3MBTL1HTTKMT2ALMNAMAPT
SCHEMBL8044564 0.80 CYP19A1 (0.48) NPC1RAB9AL3MBTL1HTTMEN1
SCHEMBL8033588 0.78 HSD17B10 (0.45) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL8043675 0.77 KIT (0.39) L3MBTL1HTTCYP3A4CYP2C19KDM4E
SCHEMBL8048340 0.76 ALDH1A1 (0.45) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL8048205 0.76 ALDH1A1 (0.42) NPC1RAB9AL3MBTL1HTTMEN1

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