SCHEMBL8042933

SCHEMBL8042933

c1ccc(CCn2nnc(Sc3nccs3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 3/20 0.37
PDPK1 O15530 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.34
PLA2G4A P47712 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
CES1 P23141 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8045945 0.87 RAB9A (0.46) DCUN1D1PDPK1MGAMGAASI
SCHEMBL8033274 0.80 FBP1 (0.41) DCUN1D1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8048789 0.80 HTR1A (0.45) GAASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL8042050 0.79 LMNA (0.42) DCUN1D1GAASMN1; SMN2KMT2AMEN1
SCHEMBL8044714 0.78 RAB9A (0.34) SMN1; SMN2KMT2AMEN1TSHRUSP2
SCHEMBL8044818 0.78 RAB9A (0.41) DCUN1D1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL8050943 0.77 FBP1 (0.42) DCUN1D1SMN1; SMN2LMNAFBP1PDK1
SCHEMBL8050904 0.76 ALDH1A1 (0.33) GAASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL8046628 0.75 AR (0.40) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL8043417 0.75 HDAC6 (0.36) SMN1; SMN2USP2RAB9ANPC1L3MBTL1

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