SCHEMBL8050870

SCHEMBL8050870

Oc1ccc(Br)cc1-c1nnc(S)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.47
GAA P10253 3/20 0.47
SI P14410 3/20 0.47
MGAM2 Q2M2H8 3/20 0.47
SNCA P37840 2/20 0.42
IDO1 P14902 1/20 0.41
ALOX15 P16050 1/20 0.38
GUSB P08236 1/20 0.38
HPGD P15428 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.36
MCL1 Q07820 2/20 0.36
BCL2 P10415 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
SCHEMBL13297688 0.86 GUSB (0.49) GAAGUSBHPGDMAPTHTT
SCHEMBL8043597 0.80 MGAM (0.40) MGAMGAASIMGAM2GUSB
SCHEMBL8043262 0.77 GABRA1 (0.52) MGAMGAASIMGAM2SNCA
SCHEMBL22469017 0.75 GUSB (0.46) MGAMGAASIMGAM2IDO1
SCHEMBL27991140 0.71 ALOX15 (0.62) MGAMGAASIMGAM2IDO1
SCHEMBL8743338 0.71 ALOX15 (0.62) MGAMGAASIMGAM2IDO1
SCHEMBL8047389 0.71 CA1 (0.49) MGAMGAASIMGAM2SNCA
SCHEMBL9179420 0.70 SNCA (0.75) SNCAGUSBMAPT
SCHEMBL8045495 0.69 HDAC1 (0.46) GAAIDO1HPGDKDM4ETSHR
SCHEMBL8046899 0.68 HDAC1 (0.43) GAAIDO1ALOX15HPGDKDM4E

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