SCHEMBL8045804

SCHEMBL8045804

O=[N+]([O-])c1ccc(-n2nnnc2Sc2nc(-c3ccc(Cl)cc3)cs2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.39
MAOA P21397 1/20 0.39
MAPT P10636 7/20 0.39
LMNA P02545 5/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MITF O75030 1/20 0.38
NTSR1 P30989 1/20 0.38
EIF4E P06730 1/20 0.37
USP2 O75604 1/20 0.34
ALPG P10696 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8049863 0.90 MAPT (0.43) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8041970 0.83 EIF4E (0.40) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8043194 0.83 KMT2A (0.43) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8046358 0.83 LMNA (0.39) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8047853 0.81 KMT2A (0.40) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8710052 0.79 LMNA (0.41) KDM1AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8047667 0.78 LMNA (0.40) KDM1AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8046591 0.77 ALDH1A1 (0.39) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8043842 0.77 KMT2A (0.44) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8043591 0.77 KMT2A (0.37) MAPTLMNAALDH1A1SMN1; SMN2KMT2A

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