SCHEMBL8048718

SCHEMBL8048718

O=C(O)c1sc(Sc2nnc(-c3cc4ccccc4s3)n2-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 2/20 0.50
MAPT P10636 1/20 0.35
HSD17B10 Q99714 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 5/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RECQL P46063 1/20 0.34
USP7 Q93009 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 1/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
ACLY P53396 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
SCHEMBL8047063 0.85 TSHR (0.51) MAPTHSD17B10KDM4EHPGDTSHR
SCHEMBL8042116 0.81 SMN1; SMN2 (0.41) MAPTKDM4ETSHRALDH1A1MAPK1
SCHEMBL8032654 0.79 RPA1 (0.51) RPA1HSD17B10KDM4EHPGDTSHR
SCHEMBL8048173 0.79 MAPT (0.36) MAPTHSD17B10HPGDTSHRALDH1A1
SCHEMBL8044342 0.79 ALPG (0.43) MAPTKDM4EHPGDTSHRALDH1A1
SCHEMBL8044772 0.79 MAPT (0.38) MAPTALDH1A1USP7NPSR1MEN1
SCHEMBL8049971 0.79 RPA1 (0.49) RPA1MAPTHSD17B10KDM4EHPGD
SCHEMBL8044969 0.78 ALDH1A1 (0.45) MAPTKDM4EHPGDALDH1A1HDAC6
SCHEMBL8042509 0.78 HSD17B10 (0.47) MAPTHSD17B10KDM4EHPGDTSHR
SCHEMBL8044131 0.78 RPA1 (0.44) RPA1MAPTHSD17B10KDM4ETSHR

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