SCHEMBL8050797

SCHEMBL8050797

CCc1ccccc1-n1nnnc1Sc1ncc(NC(=O)c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 8/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 3/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
HDAC6 Q9UBN7 1/20 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
SCHEMBL8050828 0.86 ALDH1A1 (0.48) MAPK1TP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL8033986 0.86 ALDH1A1 (0.48) MAPK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8034295 0.84 NPC1 (0.42) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8051230 0.83 TP53 (0.46) MAPK1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL8051066 0.83 RAB9A (0.44) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8048027 0.83 ALDH1A1 (0.40) MAPK1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL8042886 0.82 KDM4E (0.44) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8051515 0.82 HPGD (0.49) MAPK1TP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL8048023 0.82 ALDH1A1 (0.42) MAPK1TP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL8042810 0.82 ALDH1A1 (0.43) MAPK1TP53SMN1; SMN2NPC1RAB9A

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