SCHEMBL8042586

SCHEMBL8042586

O=C(Nc1cnc(Sc2nnc(-c3cc4ccccc4s3)n2-c2ccccc2)s1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.47
HDAC6 Q9UBN7 5/20 0.41
HDAC2 Q92769 3/20 0.41
PDGFRB P09619 3/20 0.38
KDR P35968 3/20 0.38
HDAC1 Q13547 3/20 0.37
TSHR P16473 3/20 0.36
IKBKB O14920 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL8043654 0.84 TSHR (0.52) HDAC6TSHRHSD17B10KDM4EMEN1
SCHEMBL8032654 0.83 RPA1 (0.51) RPA1HDAC6TSHRIKBKBHSD17B10
SCHEMBL8042860 0.82 HDAC6 (0.44) HDAC6HDAC2HDAC1MEN1HTT
SCHEMBL8049440 0.80 RPA1 (0.51) RPA1TSHRHSD17B10KDM4EMEN1
SCHEMBL8032459 0.80 HSD17B10 (0.49) HDAC6TSHRHSD17B10KDM4EMEN1
SCHEMBL8043803 0.79 HDAC6 (0.41) HDAC6HDAC2HDAC1TSHRHSD17B10
SCHEMBL8042913 0.79 ALDH1A1 (0.44) HDAC6HDAC2HDAC1TSHRKDM4E
SCHEMBL8045038 0.79 TSHR (0.47) HDAC6TSHRHSD17B10KDM4EMEN1
SCHEMBL8046929 0.78 TSHR (0.52) HDAC6TSHRHSD17B10KDM4EMEN1
SCHEMBL8044722 0.78 RPA1 (0.45) RPA1TSHRHSD17B10KDM4EMEN1

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