SCHEMBL8046636

SCHEMBL8046636

Brc1ccc(-n2c(Sc3nc4ccccc4s3)nnc2-c2cccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.49
TSHR P16473 6/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.48
USP2 O75604 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 1/20 0.47
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 4/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL8045952 0.91 TSHR (0.59) HSD17B10TSHRKDM4EALDH1A1USP2
SCHEMBL8043050 0.87 HSD17B10 (0.49) HSD17B10TSHRKDM4EALDH1A1USP2
SCHEMBL8033654 0.87 NPSR1 (0.52) HSD17B10TSHRKDM4EALDH1A1USP2
SCHEMBL8032481 0.87 HSD17B10 (0.51) HSD17B10TSHRKDM4EALDH1A1USP2
SCHEMBL8033996 0.87 HSD17B10 (0.49) HSD17B10TSHRKDM4EALDH1A1USP2
SCHEMBL8033031 0.86 HSD17B10 (0.49) HSD17B10TSHRKDM4EALDH1A1USP2
SCHEMBL8043830 0.85 TSHR (0.45) HSD17B10TSHRKDM4EALDH1A1USP2
SCHEMBL8043248 0.84 HSD17B10 (0.44) HSD17B10TSHRKDM4EALDH1A1USP2
SCHEMBL8042778 0.84 TSHR (0.43) HSD17B10TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL8048578 0.84 TSHR (0.49) HSD17B10TSHRKDM4EALDH1A1SMN1; SMN2

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