SCHEMBL8043268

SCHEMBL8043268

CS(=O)(=O)CCCCCn1nnnc1Sc1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.38
MAPT P10636 10/20 0.38
HPGD P15428 6/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
NPSR1 Q6W5P4 3/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 3/20 0.37
HCAR3 P49019 2/20 0.37
ILK Q13418 1/20 0.37
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MITF O75030 2/20 0.36

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
SCHEMBL8042861 0.87 HCAR3 (0.48) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8041894 0.86 PKM (0.39) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8048558 0.85 HCAR3 (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8050295 0.84 ALDH1A1 (0.39) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8713483 0.84 MAPT (0.35) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8047444 0.84 ALDH1A1 (0.44) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8046025 0.83 PDK1 (0.47) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8050451 0.83 MAPT (0.47) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8050220 0.81 MAPT (0.43) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8044141 0.81 ALDH1A1 (0.48) ALDH1A1MAPTHPGDMEN1KMT2A

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