SCHEMBL8042687

SCHEMBL8042687

Cc1csc(Sc2nnc(-c3cc4ccccc4s3)n2-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.48
TSHR P16473 6/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARP1 P09874 2/20 0.36
HPGD P15428 1/20 0.36
SSTR2 P30874 1/20 0.35
SSTR5 P35346 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 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
SCHEMBL8052292 0.87 RPA1 (0.46) RPA1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL8044879 0.83 RPA1 (0.47) RPA1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL8046211 0.83 RPA1 (0.48) RPA1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL8042821 0.83 RPA1 (0.54) RPA1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL8042745 0.83 RPA1 (0.47) RPA1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL8036965 0.81 TSHR (0.67) TSHRHSD17B10KDM4EALDH1A1MEN1
SCHEMBL8033921 0.81 RPA1 (0.47) RPA1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL8049440 0.81 RPA1 (0.51) RPA1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL8044765 0.80 RPA1 (0.41) RPA1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL8044131 0.79 RPA1 (0.44) RPA1TSHRHSD17B10KDM4EALDH1A1

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