SCHEMBL8051001

SCHEMBL8051001

O=C(Nc1cnc(Sc2nnnn2C2CCCCC2)s1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL8051066 0.81 RAB9A (0.44) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL8050828 0.80 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2KDM4EHPGD
SCHEMBL8043960 0.78 L3MBTL1 (0.51) ALDH1A1TSHRSMN1; SMN2L3MBTL1KDM4E
SCHEMBL8042762 0.78 NPC1 (0.41) ALDH1A1TSHRSMN1; SMN2HPGDALOX15
SCHEMBL8034295 0.78 NPC1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL8032463 0.78 POLB (0.41) ALDH1A1TSHRSMN1; SMN2KDM4EHPGD
SCHEMBL8048297 0.78 HDAC6 (0.45) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL8046654 0.78 TSHR (0.42) ALDH1A1TSHRL3MBTL1KDM4EHPGD
SCHEMBL8032670 0.77 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2KDM4EHPGD
SCHEMBL8051515 0.77 HPGD (0.49) ALDH1A1TSHRSMN1; SMN2HPGDHSD17B10

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