SCHEMBL8050326

SCHEMBL8050326

Sc1nnc(-c2ccc(Oc3ccccc3)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
LTA4H P09960 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SCN4A P35499 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
TLR8 Q9NR97 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
S1PR1 P21453 1/20 0.41
GSTP1 P09211 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9343228 0.83 ALDH1A1 (0.53) MGAMGAASIMGAM2LTA4H
SCHEMBL969040 0.83 ALDH1A1 (0.52) MGAMGAASIMGAM2NPC1
SCHEMBL14557099 0.81 KDM4E (0.43) MGAMGAASIMGAM2NPC1
SCHEMBL11431183 0.79 MGAM (0.68) MGAMGAASIMGAM2NPC1
SCHEMBL13401040 0.79 KDM4E (0.64) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL10520010 0.75 DRD1 (0.41) MGAMGAASIMGAM2NPC1
SCHEMBL8048162 0.75 P2RY1 (0.41) MGAMGAASIMGAM2NPC1
SCHEMBL969364 0.74 PTPN11 (0.47) NPC1RAB9AALDH1A1TSHRGSTP1
SCHEMBL13801089 0.73 PTGDR2 (0.52) LTA4HNPC1RAB9ASCN4APTGDR2
SCHEMBL9341550 0.72 PTPN11 (0.49) MGAMGAASIMGAM2NPC1

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