SCHEMBL8046385

SCHEMBL8046385

CCCCc1nnc(Sc2ncc(C(=O)O)s2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL8044684 0.93 RXRA (0.42) RXRARXRBRXRGHCAR2KDM4E
SCHEMBL8050209 0.88 RXRA (0.43) RXRARXRBRXRGHCAR2KDM4E
SCHEMBL8044736 0.86 RXRA (0.40) RXRARXRBRXRGHCAR2USP7
SCHEMBL8043212 0.85 RXRA (0.39) RXRARXRBRXRGHCAR2ALDH1A1
SCHEMBL8051764 0.83 RXRA (0.41) RXRARXRBRXRGHCAR2L3MBTL1
SCHEMBL8044854 0.83 RXRA (0.39) RXRARXRBRXRGHCAR2KDM4E
SCHEMBL8042939 0.82 RXRA (0.41) RXRARXRBRXRGHCAR2L3MBTL1
SCHEMBL8032493 0.82 RAB9A (0.44) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL8044327 0.82 RXRA (0.41) RXRARXRBRXRGHCAR2ALDH1A1
SCHEMBL8044449 0.80 SMN1; SMN2 (0.43) RXRARXRBRXRGHCAR2ALDH1A1

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed