SCHEMBL8052295

SCHEMBL8052295

O=C(O)c1sc(Sc2nnn(Cc3ccccc3)n2)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.36
MMP13 P45452 2/20 0.36
HDAC6 Q9UBN7 3/20 0.35
THRB P10828 2/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GHSR Q92847 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL8048326 0.90 TP53 (0.37) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL8050861 0.84 MAPT (0.32) RAB9ANPC1SMN1; SMN2MAPTAGTR1
SCHEMBL8032541 0.84 LMNA (0.33) MAPTLMNA
SCHEMBL8041804 0.82 RAB9A (0.33) RAB9ANPC1SMN1; SMN2MAPTAGTR1
SCHEMBL8042593 0.80 ALDH1A1 (0.47) RAB9ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL8042982 0.80 KMT2A (0.35) RAB9ANPC1SMN1; SMN2MAPTAGTR1
SCHEMBL8048329 0.79 MAPT (0.36) SMN1; SMN2MAPTAGTR1AGTR2ALDH1A1
SCHEMBL8043559 0.78 MAPT (0.34) NPC1MAPTALDH1A1
SCHEMBL8042872 0.76 MAPT (0.33) MAPTALDH1A1
SCHEMBL8033664 0.75 RAB9A (0.39) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed