SCHEMBL8048414

SCHEMBL8048414

Cc1ccc(-n2nnnc2Sc2nc(CC(=O)O)cs2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.36
ALDH1A1 P00352 9/20 0.36
HSD17B10 Q99714 5/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
TSHR P16473 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
GAA P10253 3/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 4/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 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
SCHEMBL8048121 0.87 ALDH1A1 (0.36) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL8048135 0.84 ALDH1A1 (0.37) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL8043591 0.84 KMT2A (0.37) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL8051292 0.83 CYP1A2 (0.38) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL8051833 0.81 POLB (0.54) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL8042326 0.81 ALDH1A1 (0.37) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL8048131 0.79 MAPK1 (0.43) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL8034317 0.78 HPGD (0.51) LMNAALDH1A1HSD17B10HTTTSHR
SCHEMBL8041793 0.78 POLB (0.43) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL8032345 0.78 HSD17B10 (0.43) LMNAALDH1A1HSD17B10MAPTHTT

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