SCHEMBL8049440

SCHEMBL8049440

Clc1cnc(Sc2nnc(-c3cc4ccccc4s3)n2-c2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.51
TSHR P16473 5/20 0.41
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
MAPK1 P28482 1/20 0.35
PARP1 P09874 3/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TERT O14746 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP19A1 P11511 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR5 P35346 1/20 0.33
TLR5 O60602 1/20 0.32

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
SCHEMBL8032654 0.85 RPA1 (0.51) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8047508 0.83 RPA1 (0.45) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8044722 0.83 RPA1 (0.45) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8044879 0.82 RPA1 (0.47) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8046211 0.81 RPA1 (0.48) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8033943 0.81 TSHR (0.61) TSHRKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL8046872 0.81 RPA1 (0.52) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8042687 0.81 RPA1 (0.48) RPA1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8042586 0.80 RPA1 (0.47) RPA1TSHRKDM4EHSD17B10MEN1
SCHEMBL8033921 0.80 RPA1 (0.47) RPA1TSHRKDM4EHSD17B10ALDH1A1

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