SCHEMBL8044409

SCHEMBL8044409

O=C(O)Cc1csc(Sc2nnnn2CCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 5/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 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
SCHEMBL8032934 0.89 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL8044541 0.84 ALOX15 (0.41) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL8051238 0.83 HSD17B10 (0.42) ALDH1A1KMT2ALMNATSHRRAB9A
SCHEMBL8044066 0.82 HTT (0.45) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL8042994 0.82 GABRA5 (0.41) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL8033559 0.81 LMNA (0.47) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL8051833 0.80 POLB (0.54) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL8043865 0.80 RAB9A (0.42) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL8043765 0.80 L3MBTL1 (0.41) ALDH1A1LMNATSHRRAB9ASMN1; SMN2
SCHEMBL8033866 0.80 HSD17B10 (0.40) ALDH1A1LMNATDP1HSD17B10GABRA5

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